Samixogrel
TL;DR: Samixogrel (CAS 133276-52-5) is a chemical compound with molecular formula C25H25ClN2O4S and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
Also Known As: Samixogrel, (Iso)-Samixogrel, 5-Hexenoic acid, 6-[4-[2-[[(4-chlorophenyl)sulfonyl]amino]ethyl]phenyl]-6-(3-pyridinyl)-, 6-(4-(2-(4-chlorobenzenesulphonylamino)ethyl)-phenyl)-6-(3-pyridyl)hex-5-enoic acid, 6-(4-(2-(4-chlorobenzenesulphonylamino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid
| Molecular Formula | C25H25ClN2O4S |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 484.12234 |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 133276-52-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=CCCCC(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | LGHLGTHRJNIRCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Samixogrel (CAS 133276-52-5), with molecular formula C25H25ClN2O4S and molecular weight 484.12 g/mol. IUPAC: 6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid.
Chemical Property Profile of Samixogrel
Property Insights of Samixogrel
The XLogP value of 5.0 indicates that Samixogrel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Samixogrel. Following Lipinski's Rule of Five, Samixogrel has 2 hydrogen bond donor(s) and 6 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 Samixogrel?
The CAS number of Samixogrel is 133276-52-5.
What is the molecular formula of Samixogrel?
The molecular formula of Samixogrel is C25H25ClN2O4S.
What is the molecular weight of Samixogrel?
The molecular weight of Samixogrel is 484.12 g/mol.
Where can I buy Samixogrel?
You can request a quote for Samixogrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samixogrel?
Yes, KEHONG BIO provides custom synthesis services for Samixogrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.