ChemDiv3_012411
TL;DR: ChemDiv3_012411 (CAS 877655-45-3) is a chemical compound with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-2-[[3-(3-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_012411, F2014-0664, N-cyclopentyl-2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-cyclopentyl-2-((3-(3-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-cyclopentyl-2-[[3-(3-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C20H23N3O3S2 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.0402 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.11807 |
| Heavy Atoms | 28 |
| Complexity | 938.77856 |
Chemical Identifiers
| CAS Number | 877655-45-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4CCCC4 |
Product Overview
ChemDiv3_012411 (CAS 877655-45-3), with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol. IUPAC: N-cyclopentyl-2-[[3-(3-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_012411
Property Insights of ChemDiv3_012411
The XLogP value of 3.0402 indicates that ChemDiv3_012411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012411. Following Lipinski's Rule of Five, ChemDiv3_012411 has 1 hydrogen bond donor(s) and 6 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_012411?
The CAS number of ChemDiv3_012411 is 877655-45-3.
What is the molecular formula of ChemDiv3_012411?
The molecular formula of ChemDiv3_012411 is C20H23N3O3S2.
What is the molecular weight of ChemDiv3_012411?
The molecular weight of ChemDiv3_012411 is 417.12 g/mol.
Where can I buy ChemDiv3_012411?
You can request a quote for ChemDiv3_012411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012411?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.