ChemDiv3_012367
TL;DR: ChemDiv3_012367 (CAS 877653-82-2) is a chemical compound with molecular formula C23H22FN3O2S2 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: ChemDiv3_012367, BRD-K17534436-001-01-6, F2014-0310, 2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C23H22FN3O2S2 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 4.04514 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.11374 |
| Heavy Atoms | 31 |
| Complexity | 1172.4114 |
Chemical Identifiers
| CAS Number | 877653-82-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=C(C=C4)F)C |
Product Overview
ChemDiv3_012367 (CAS 877653-82-2), with molecular formula C23H22FN3O2S2 and molecular weight 455.11 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of ChemDiv3_012367
Property Insights of ChemDiv3_012367
The XLogP value of 4.04514 indicates that ChemDiv3_012367 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 ChemDiv3_012367. Following Lipinski's Rule of Five, ChemDiv3_012367 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 ChemDiv3_012367?
The CAS number of ChemDiv3_012367 is 877653-82-2.
What is the molecular formula of ChemDiv3_012367?
The molecular formula of ChemDiv3_012367 is C23H22FN3O2S2.
What is the molecular weight of ChemDiv3_012367?
The molecular weight of ChemDiv3_012367 is 455.11 g/mol.
Where can I buy ChemDiv3_012367?
You can request a quote for ChemDiv3_012367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012367?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.