ChemDiv2_001612
TL;DR: ChemDiv2_001612 (CAS 685844-77-3) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
Also Known As: ChemDiv2_001612, 2-[5-(3,4-DiMe-phenyl)-6-Me-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]propionic acid, 2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid, 2-(5-(3,4-Dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid, 2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-3-yl ]propanoic acid
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.69586 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 1017.01117 |
Chemical Identifiers
| CAS Number | 685844-77-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)O)C)C |
Product Overview
ChemDiv2_001612 (CAS 685844-77-3), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid.
Chemical Property Profile of ChemDiv2_001612
Property Insights of ChemDiv2_001612
The XLogP value of 3.69586 indicates that ChemDiv2_001612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001612. Following Lipinski's Rule of Five, ChemDiv2_001612 has 1 hydrogen bond donor(s) and 4 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_001612?
The CAS number of ChemDiv2_001612 is 685844-77-3.
What is the molecular formula of ChemDiv2_001612?
The molecular formula of ChemDiv2_001612 is C18H18N2O3S.
What is the molecular weight of ChemDiv2_001612?
The molecular weight of ChemDiv2_001612 is 342.10 g/mol.
Where can I buy ChemDiv2_001612?
You can request a quote for ChemDiv2_001612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001612?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.