ChemDiv1_008807
TL;DR: ChemDiv1_008807 (CAS 314260-50-9) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-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]acetamide
Also Known As: ChemDiv1_008807, BAS 04913263, AF-399/15031012, 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide, N-(4-methylphenyl)-2-[(1-oxo-2-prop-2-enyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.17192 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1113.3665 |
Chemical Identifiers
| CAS Number | 314260-50-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
ChemDiv1_008807 (CAS 314260-50-9), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: N-(4-methylphenyl)-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]acetamide.
Chemical Property Profile of ChemDiv1_008807
Property Insights of ChemDiv1_008807
The XLogP value of 4.17192 indicates that ChemDiv1_008807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008807. Following Lipinski's Rule of Five, ChemDiv1_008807 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 ChemDiv1_008807?
The CAS number of ChemDiv1_008807 is 314260-50-9.
What is the molecular formula of ChemDiv1_008807?
The molecular formula of ChemDiv1_008807 is C21H21N3O2S2.
What is the molecular weight of ChemDiv1_008807?
The molecular weight of ChemDiv1_008807 is 411.11 g/mol.
Where can I buy ChemDiv1_008807?
You can request a quote for ChemDiv1_008807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008807?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.