ChemDiv1_004638
TL;DR: ChemDiv1_004638 (CAS 325693-48-9) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
Also Known As: ChemDiv1_004638, BAS 02072506, BIM-0045444.P001, methyl 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate, AF-399/14425125
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 4.33974 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 1065.5057 |
Chemical Identifiers
| CAS Number | 325693-48-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CC=C)C |
Product Overview
ChemDiv1_004638 (CAS 325693-48-9), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: methyl 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of ChemDiv1_004638
Property Insights of ChemDiv1_004638
The XLogP value of 4.33974 indicates that ChemDiv1_004638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004638. Following Lipinski's Rule of Five, ChemDiv1_004638 has 0 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 ChemDiv1_004638?
The CAS number of ChemDiv1_004638 is 325693-48-9.
What is the molecular formula of ChemDiv1_004638?
The molecular formula of ChemDiv1_004638 is C20H20N2O3S2.
What is the molecular weight of ChemDiv1_004638?
The molecular weight of ChemDiv1_004638 is 400.09 g/mol.
Where can I buy ChemDiv1_004638?
You can request a quote for ChemDiv1_004638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004638?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.