![7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid structure](/static/products/1129/112966-96-8.webp)
7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
TL;DR: 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid (CAS 112966-96-8) is a chemical compound with molecular formula C20H27NO4S and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Also Known As: Domitroban, S 145
| Molecular Formula | C20H27NO4S |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.16608 |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 112966-96-8 |
|---|---|
| SMILES | C1CC2CC1C(C2NS(=O)(=O)C3=CC=CC=C3)CC=CCCCC(=O)O |
| InChIKey | PWTCIBWRMQFJBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid (CAS 112966-96-8), with molecular formula C20H27NO4S and molecular weight 377.17 g/mol. IUPAC: 7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid.
Chemical Property Profile of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Property Insights of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
The XLogP value of 3.6 indicates that 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid. Following Lipinski's Rule of Five, 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid has 2 hydrogen bond donor(s) and 5 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 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The CAS number of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is 112966-96-8.
What is the molecular formula of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The molecular formula of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is C20H27NO4S.
What is the molecular weight of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The molecular weight of 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is 377.17 g/mol.
Where can I buy 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
You can request a quote for 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.