ChemDiv2_008036
TL;DR: ChemDiv2_008036 (CAS 451468-51-2) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
Also Known As: ChemDiv2_008036, IDI1_006751, 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-cyclopentylacetamide, F0916-6616, 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.6572 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 991.3795 |
Chemical Identifiers
| CAS Number | 451468-51-2 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3 |
Product Overview
ChemDiv2_008036 (CAS 451468-51-2), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide.
Chemical Property Profile of ChemDiv2_008036
Property Insights of ChemDiv2_008036
The XLogP value of 3.6572 indicates that ChemDiv2_008036 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 ChemDiv2_008036. Following Lipinski's Rule of Five, ChemDiv2_008036 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 ChemDiv2_008036?
The CAS number of ChemDiv2_008036 is 451468-51-2.
What is the molecular formula of ChemDiv2_008036?
The molecular formula of ChemDiv2_008036 is C20H21N3O2S2.
What is the molecular weight of ChemDiv2_008036?
The molecular weight of ChemDiv2_008036 is 399.11 g/mol.
Where can I buy ChemDiv2_008036?
You can request a quote for ChemDiv2_008036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008036?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.