1,3-Benzodioxole-5-sulfonyl chloride
TL;DR: 1,3-Benzodioxole-5-sulfonyl chloride (CAS 115010-10-1) is a chemical compound with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-5-sulfonyl chloride
Also Known As: 1,3-benzodioxole-5-sulfonyl chloride, benzo[d][1,3]dioxole-5-sulfonyl chloride, Benzo[1,3]dioxole-5-sulfonyl Chloride, 1,3-Benzodioxole-5-sulphonyl chloride, 2H-1,3-benzodioxole-5-sulfonyl chloride
| Molecular Formula | C7H5ClO4S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 1.3428 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.9597 |
| Heavy Atoms | 13 |
| Complexity | 439.80582 |
Chemical Identifiers
| CAS Number | 115010-10-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl |
Product Overview
1,3-Benzodioxole-5-sulfonyl chloride (CAS 115010-10-1), with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol. IUPAC: 1,3-benzodioxole-5-sulfonyl chloride.
Chemical Property Profile of 1,3-Benzodioxole-5-sulfonyl chloride
Property Insights of 1,3-Benzodioxole-5-sulfonyl chloride
The XLogP value of 1.3428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-sulfonyl chloride. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Benzodioxole-5-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-sulfonyl chloride 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 1,3-Benzodioxole-5-sulfonyl chloride?
The CAS number of 1,3-Benzodioxole-5-sulfonyl chloride is 115010-10-1.
What is the molecular formula of 1,3-Benzodioxole-5-sulfonyl chloride?
The molecular formula of 1,3-Benzodioxole-5-sulfonyl chloride is C7H5ClO4S.
What is the molecular weight of 1,3-Benzodioxole-5-sulfonyl chloride?
The molecular weight of 1,3-Benzodioxole-5-sulfonyl chloride is 219.96 g/mol.
Where can I buy 1,3-Benzodioxole-5-sulfonyl chloride?
You can request a quote for 1,3-Benzodioxole-5-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.