卡普韦林
TL;DR: 卡普韦林 (CAS 178979-85-6) is a chemical compound with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡普韦林
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate
Also Known As: Capravirine, Capravirina, capravirinum, CDIMI, CAPRAVIRINE [MI]
| Molecular Formula | C20H20Cl2N4O2S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0684 |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 178979-85-6 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | YQXCVAGCMNFUMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡普韦林 (CAS 178979-85-6), with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate.
Chemical Property Profile of 卡普韦林
Property Insights of 卡普韦林
The XLogP value of 4.5 indicates that 卡普韦林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 卡普韦林. Following Lipinski's Rule of Five, 卡普韦林 has 1 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 卡普韦林?
The CAS number of 卡普韦林 is 178979-85-6.
What is the molecular formula of 卡普韦林?
The molecular formula of 卡普韦林 is C20H20Cl2N4O2S.
What is the molecular weight of 卡普韦林?
The molecular weight of 卡普韦林 is 450.07 g/mol.
Where can I buy 卡普韦林?
You can request a quote for 卡普韦林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡普韦林?
Yes, KEHONG BIO provides custom synthesis services for 卡普韦林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.