ChemDiv1_008983
TL;DR: ChemDiv1_008983 (CAS 314261-08-0) is a chemical compound with molecular formula C20H18FN3O2S2 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-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_008983, BAS 04913271, AB00713766-01, AF-399/15031056, 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
| Molecular Formula | C20H18FN3O2S2 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 4.0026 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.08246 |
| Heavy Atoms | 28 |
| Complexity | 1136.4166 |
Chemical Identifiers
| CAS Number | 314261-08-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)SC4=C2CCC4 |
Product Overview
ChemDiv1_008983 (CAS 314261-08-0), with molecular formula C20H18FN3O2S2 and molecular weight 415.08 g/mol. IUPAC: N-(2-fluorophenyl)-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_008983
Property Insights of ChemDiv1_008983
The XLogP value of 4.0026 indicates that ChemDiv1_008983 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_008983. Following Lipinski's Rule of Five, ChemDiv1_008983 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_008983?
The CAS number of ChemDiv1_008983 is 314261-08-0.
What is the molecular formula of ChemDiv1_008983?
The molecular formula of ChemDiv1_008983 is C20H18FN3O2S2.
What is the molecular weight of ChemDiv1_008983?
The molecular weight of ChemDiv1_008983 is 415.08 g/mol.
Where can I buy ChemDiv1_008983?
You can request a quote for ChemDiv1_008983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008983?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.