ChemDiv2_007778
TL;DR: ChemDiv2_007778 (CAS 440329-04-4) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
Also Known As: ChemDiv2_007778, IDI1_006493, 2-({3-butyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide, F6609-0732, 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 3.97502 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 977.05066 |
Chemical Identifiers
| CAS Number | 440329-04-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NCC3=CC=C(C=C3)C |
Product Overview
ChemDiv2_007778 (CAS 440329-04-4), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
Chemical Property Profile of ChemDiv2_007778
Property Insights of ChemDiv2_007778
The XLogP value of 3.97502 indicates that ChemDiv2_007778 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_007778. Following Lipinski's Rule of Five, ChemDiv2_007778 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_007778?
The CAS number of ChemDiv2_007778 is 440329-04-4.
What is the molecular formula of ChemDiv2_007778?
The molecular formula of ChemDiv2_007778 is C20H23N3O2S2.
What is the molecular weight of ChemDiv2_007778?
The molecular weight of ChemDiv2_007778 is 401.12 g/mol.
Where can I buy ChemDiv2_007778?
You can request a quote for ChemDiv2_007778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007778?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.