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1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate
TL;DR: 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate (CAS 135204-19-2) is a chemical compound with molecular formula C10H7ClO4S and molecular weight 257.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-1-benzothiophen-2-yl)methyl carbonochloridate
Also Known As: Bsmoc-Cl, 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate, (1,1-Dioxidobenzo[b]thiophen-2-yl)methyl carbonochloridate, (1,1-dioxo-1-benzothiophen-2-yl)methyl carbonochloridate, (1,1-dioxo-1lambda6-benzothiophen-2-yl)methyl chloroformate
| Molecular Formula | C10H7ClO4S |
|---|---|
| Molecular Weight | 257.98 g/mol |
| LogP | 2.1902 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.97537 |
| Heavy Atoms | 16 |
| Complexity | 574.23676 |
Chemical Identifiers
| CAS Number | 135204-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)Cl |
Product Overview
1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate (CAS 135204-19-2), with molecular formula C10H7ClO4S and molecular weight 257.98 g/mol. IUPAC: (1,1-dioxo-1-benzothiophen-2-yl)methyl carbonochloridate.
Chemical Property Profile of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate
Property Insights of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate
The XLogP value of 2.1902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate. Following Lipinski's Rule of Five, 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate?
The CAS number of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate is 135204-19-2.
What is the molecular formula of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate?
The molecular formula of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate is C10H7ClO4S.
What is the molecular weight of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate?
The molecular weight of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate is 257.98 g/mol.
Where can I buy 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate?
You can request a quote for 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.