Capravirine metabolite C26/m2
TL;DR: Capravirine metabolite C26/m2 (CAS 216316-66-4) is a chemical compound with molecular formula C20H20Cl2N4O3S and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dichlorophenyl)sulfanyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-4-propan-2-ylimidazol-2-yl]methyl carbamate
Also Known As: Capravirine metabolite C26/m2, 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((1-oxido-4-pyridinyl)methyl)-, 2-carbamate, [5-(3,5-dichlorophenyl)sulfanyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-4-propan-2-ylimidazol-2-yl]methyl carbamate, [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]imidazol-2-yl]methyl carbamate
| Molecular Formula | C20H20Cl2N4O3S |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.06332 |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 216316-66-4 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=[N+](C=C2)[O-])SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | IMCQSSIDUSMRJG-UHFFFAOYSA-N |
Product Overview
Capravirine metabolite C26/m2 (CAS 216316-66-4), with molecular formula C20H20Cl2N4O3S and molecular weight 466.06 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-4-propan-2-ylimidazol-2-yl]methyl carbamate.
Chemical Property Profile of Capravirine metabolite C26/m2
Property Insights of Capravirine metabolite C26/m2
The XLogP value of 3.5 indicates that Capravirine metabolite C26/m2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Capravirine metabolite C26/m2. Following Lipinski's Rule of Five, Capravirine metabolite C26/m2 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 Capravirine metabolite C26/m2?
The CAS number of Capravirine metabolite C26/m2 is 216316-66-4.
What is the molecular formula of Capravirine metabolite C26/m2?
The molecular formula of Capravirine metabolite C26/m2 is C20H20Cl2N4O3S.
What is the molecular weight of Capravirine metabolite C26/m2?
The molecular weight of Capravirine metabolite C26/m2 is 466.06 g/mol.
Where can I buy Capravirine metabolite C26/m2?
You can request a quote for Capravirine metabolite C26/m2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Capravirine metabolite C26/m2?
Yes, KEHONG BIO provides custom synthesis services for Capravirine metabolite C26/m2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.