ChemDiv1_009029
TL;DR: ChemDiv1_009029 (CAS 374693-36-4) is a chemical compound with molecular formula C20H20N4O2S3 and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-carboxamide
Also Known As: ChemDiv1_009029, F1174-0296, AF-399/15392108, 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-carboxamide, 2-(2-((2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
| Molecular Formula | C20H20N4O2S3 |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 3.86832 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.07483 |
| Heavy Atoms | 29 |
| Complexity | 1164.633 |
Chemical Identifiers
| CAS Number | 374693-36-4 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C5=C(S4)CCC5)C(=O)N |
Product Overview
ChemDiv1_009029 (CAS 374693-36-4), with molecular formula C20H20N4O2S3 and molecular weight 444.07 g/mol. IUPAC: 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-carboxamide.
Chemical Property Profile of ChemDiv1_009029
Property Insights of ChemDiv1_009029
The XLogP value of 3.86832 indicates that ChemDiv1_009029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009029. Following Lipinski's Rule of Five, ChemDiv1_009029 has 2 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_009029?
The CAS number of ChemDiv1_009029 is 374693-36-4.
What is the molecular formula of ChemDiv1_009029?
The molecular formula of ChemDiv1_009029 is C20H20N4O2S3.
What is the molecular weight of ChemDiv1_009029?
The molecular weight of ChemDiv1_009029 is 444.07 g/mol.
Where can I buy ChemDiv1_009029?
You can request a quote for ChemDiv1_009029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009029?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.