3-苄磺酰基丙基氯
TL;DR: 3-苄磺酰基丙基氯 (CAS 91796-04-2) is a chemical compound with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苄磺酰基丙基氯
3-chloropropylsulfonylmethylbenzene
Also Known As: 3-benzylsulfonylpropyl chloride, 3-chloropropylsulfonylmethylbenzene, benzyl 3-chloropropyl sulfone, {[(3-chloropropyl)sulfonyl]methyl}benzene, 3-(Benzylsulfonyl)propyl chloride
| Molecular Formula | C10H13ClO2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.03249 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 91796-04-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCCCl |
| InChIKey | JTUKZELJXQSUNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苄磺酰基丙基氯 (CAS 91796-04-2), with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol. IUPAC: 3-chloropropylsulfonylmethylbenzene.
Chemical Property Profile of 3-苄磺酰基丙基氯
Property Insights of 3-苄磺酰基丙基氯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苄磺酰基丙基氯. With a topological polar surface area (TPSA) of 42.5 Ų, 3-苄磺酰基丙基氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苄磺酰基丙基氯 has 0 hydrogen bond donor(s) and 2 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 3-苄磺酰基丙基氯?
The CAS number of 3-苄磺酰基丙基氯 is 91796-04-2.
What is the molecular formula of 3-苄磺酰基丙基氯?
The molecular formula of 3-苄磺酰基丙基氯 is C10H13ClO2S.
What is the molecular weight of 3-苄磺酰基丙基氯?
The molecular weight of 3-苄磺酰基丙基氯 is 232.03 g/mol.
Where can I buy 3-苄磺酰基丙基氯?
You can request a quote for 3-苄磺酰基丙基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苄磺酰基丙基氯?
Yes, KEHONG BIO provides custom synthesis services for 3-苄磺酰基丙基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.