ChemDiv1_008760
TL;DR: ChemDiv1_008760 (CAS 314261-71-7) is a chemical compound with molecular formula C22H23N3O3S3 and molecular weight 473.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_008760, UPCMLD0ENAT0513-4750:001, AF-399/15031096, ethyl 2-[2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, F0863-0643
| Molecular Formula | C22H23N3O3S3 |
|---|---|
| Molecular Weight | 473.09 g/mol |
| LogP | 4.94612 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.09015 |
| Heavy Atoms | 31 |
| Complexity | 1198.0256 |
Chemical Identifiers
| CAS Number | 314261-71-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=NC4=C3C5=C(S4)CCC5)C |
Product Overview
ChemDiv1_008760 (CAS 314261-71-7), with molecular formula C22H23N3O3S3 and molecular weight 473.09 g/mol. IUPAC: ethyl 2-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008760
Property Insights of ChemDiv1_008760
The XLogP value of 4.94612 indicates that ChemDiv1_008760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008760. Following Lipinski's Rule of Five, ChemDiv1_008760 has 1 hydrogen bond donor(s) and 8 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_008760?
The CAS number of ChemDiv1_008760 is 314261-71-7.
What is the molecular formula of ChemDiv1_008760?
The molecular formula of ChemDiv1_008760 is C22H23N3O3S3.
What is the molecular weight of ChemDiv1_008760?
The molecular weight of ChemDiv1_008760 is 473.09 g/mol.
Where can I buy ChemDiv1_008760?
You can request a quote for ChemDiv1_008760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008760?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.