SiR-Halo

CAT: 0607-C8327-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-C8327-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1418275-31-6

Form

A solid

Molecular Formula

C37H48ClN3O5Si

Molecular Weight

678.33

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

SiR-Halo

CAS Number	1418275-31-6
PubChem CID	70678518
IUPAC Name	4-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate
Molecular Formula	C37H48ClN3O5Si
Molecular Weight	678.3
Topological Polar Surface Area	93.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Heavy Atom Count	47
Formal Charge	0
Complexity	1170

SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3[Si]2(C)C)C4=C(C=CC(=C4)C(=O)NCCOCCOCCCCCCCl)C(=O)[O-]

InChI

InChI=1S/C37H48ClN3O5Si/c1-40(2)27-12-15-30-33(24-27)47(5,6)34-25-28(41(3)4)13-16-31(34)35(30)32-23-26(11-14-29(32)37(43)44)36(42)39-18-20-46-22-21-45-19-10-8-7-9-17-38/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,39,42,43,44)

InChIKey

ASOJOMUYYWXELF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1418275-31-6

CID: 70678518

Formula: C37H48ClN3O5Si

MW: 678.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	678.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	677.3051759
Monoisotopic Mass	677.3051759
Topological Polar Surface Area	93.9 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C8397-1	SIR-6-COOH
BA4512-5	SIRT-IN-2
BA4512-10	SIRT-IN-2

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HY-D2332-01	SiR-Halo
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HY-W879093	SiR-DBCO
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HY-D2216	SiR-azide
TRC-B592595-75MG	BG-SiR
GTR17960162	SIR Antibody
T38851-01	SiR-COOH
GTR19291746-01	SiR-alkyne
HY-D1380	SiR-NHS

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