西那西呱
TL;DR: 西那西呱 (CAS 329773-35-5) is a chemical compound with molecular formula C36H39NO5 and molecular weight 565.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西那西呱
4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Also Known As: Cinaciguat, cinaciguatum, BAY 58-2667, Cinaciguat [INN], Cinaciguat [INN:JAN]
| Molecular Formula | C36H39NO5 |
|---|---|
| Molecular Weight | 565.28 g/mol |
| LogP | 7.0486 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 565.28284 |
| Heavy Atoms | 42 |
| Complexity | 1401.1747 |
Chemical Identifiers
| CAS Number | 329773-35-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O |
Product Overview
西那西呱 (CAS 329773-35-5), with molecular formula C36H39NO5 and molecular weight 565.28 g/mol. IUPAC: 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid.
Chemical Property Profile of 西那西呱
Property Insights of 西那西呱
The XLogP value of 7.0486 indicates that 西那西呱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 西那西呱. Following Lipinski's Rule of Five, 西那西呱 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 西那西呱?
The CAS number of 西那西呱 is 329773-35-5.
What is the molecular formula of 西那西呱?
The molecular formula of 西那西呱 is C36H39NO5.
What is the molecular weight of 西那西呱?
The molecular weight of 西那西呱 is 565.28 g/mol.
Where can I buy 西那西呱?
You can request a quote for 西那西呱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西那西呱?
Yes, KEHONG BIO provides custom synthesis services for 西那西呱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.