ChemDiv1_008821
TL;DR: ChemDiv1_008821 (CAS 315711-09-2) is a chemical compound with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_008821, AF-399/15335212, methyl 2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]-4,5,6 -trihydrocyclopenta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C19H19N3O3S3 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 4.37574 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.05887 |
| Heavy Atoms | 28 |
| Complexity | 1087.2091 |
Chemical Identifiers
| CAS Number | 315711-09-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)C |
Product Overview
ChemDiv1_008821 (CAS 315711-09-2), with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol. IUPAC: methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008821
Property Insights of ChemDiv1_008821
The XLogP value of 4.37574 indicates that ChemDiv1_008821 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_008821. Following Lipinski's Rule of Five, ChemDiv1_008821 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_008821?
The CAS number of ChemDiv1_008821 is 315711-09-2.
What is the molecular formula of ChemDiv1_008821?
The molecular formula of ChemDiv1_008821 is C19H19N3O3S3.
What is the molecular weight of ChemDiv1_008821?
The molecular weight of ChemDiv1_008821 is 433.06 g/mol.
Where can I buy ChemDiv1_008821?
You can request a quote for ChemDiv1_008821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008821?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.