ChemDiv1_009125
TL;DR: ChemDiv1_009125 (CAS 315710-58-8) is a chemical compound with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-5-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
Also Known As: ChemDiv1_009125, AF-399/15335214, methyl 2,4-dimethyl-5-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetyl)-1H-pyrrole-3-carboxylate, F1174-1825, Methyl 2,4-dimethyl-5-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H23N3O4S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 3.83924 |
| Topological Polar Surface Area | 94.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.113 |
| Heavy Atoms | 31 |
| Complexity | 1282.3773 |
Chemical Identifiers
| CAS Number | 315710-58-8 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
ChemDiv1_009125 (CAS 315710-58-8), with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol. IUPAC: methyl 2,4-dimethyl-5-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ChemDiv1_009125
Property Insights of ChemDiv1_009125
The XLogP value of 3.83924 indicates that ChemDiv1_009125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009125. Following Lipinski's Rule of Five, ChemDiv1_009125 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_009125?
The CAS number of ChemDiv1_009125 is 315710-58-8.
What is the molecular formula of ChemDiv1_009125?
The molecular formula of ChemDiv1_009125 is C22H23N3O4S2.
What is the molecular weight of ChemDiv1_009125?
The molecular weight of ChemDiv1_009125 is 457.11 g/mol.
Where can I buy ChemDiv1_009125?
You can request a quote for ChemDiv1_009125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009125?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.