ChemDiv2_008040
TL;DR: ChemDiv2_008040 (CAS 440328-99-4) is a chemical compound with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv2_008040, IDI1_006755, methyl 2-[2-({3-butyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate, F6609-0731, methyl 2-[[2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C20H21N3O4S2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 3.7755 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.09735 |
| Heavy Atoms | 29 |
| Complexity | 1090.765 |
Chemical Identifiers
| CAS Number | 440328-99-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
ChemDiv2_008040 (CAS 440328-99-4), with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol. IUPAC: methyl 2-[[2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ChemDiv2_008040
Property Insights of ChemDiv2_008040
The XLogP value of 3.7755 indicates that ChemDiv2_008040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008040. Following Lipinski's Rule of Five, ChemDiv2_008040 has 1 hydrogen bond donor(s) and 7 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_008040?
The CAS number of ChemDiv2_008040 is 440328-99-4.
What is the molecular formula of ChemDiv2_008040?
The molecular formula of ChemDiv2_008040 is C20H21N3O4S2.
What is the molecular weight of ChemDiv2_008040?
The molecular weight of ChemDiv2_008040 is 431.10 g/mol.
Where can I buy ChemDiv2_008040?
You can request a quote for ChemDiv2_008040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008040?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.