ChemDiv3_012901
TL;DR: ChemDiv3_012901 (CAS 688337-74-8) is a chemical compound with molecular formula C13H14N2O4S2 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv3_012901, BRD-K31019871-001-01-2, methyl 4-amino-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 4-amino-3-(2,5-dimethoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, F0919-6757
| Molecular Formula | C13H14N2O4S2 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 2.65429 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0395 |
| Heavy Atoms | 21 |
| Complexity | 736.2579 |
Chemical Identifiers
| CAS Number | 688337-74-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=C(SC2=S)C(=O)OC)N |
Product Overview
ChemDiv3_012901 (CAS 688337-74-8), with molecular formula C13H14N2O4S2 and molecular weight 326.04 g/mol. IUPAC: methyl 4-amino-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv3_012901
Property Insights of ChemDiv3_012901
The XLogP value of 2.65429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012901. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012901. Following Lipinski's Rule of Five, ChemDiv3_012901 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 ChemDiv3_012901?
The CAS number of ChemDiv3_012901 is 688337-74-8.
What is the molecular formula of ChemDiv3_012901?
The molecular formula of ChemDiv3_012901 is C13H14N2O4S2.
What is the molecular weight of ChemDiv3_012901?
The molecular weight of ChemDiv3_012901 is 326.04 g/mol.
Where can I buy ChemDiv3_012901?
You can request a quote for ChemDiv3_012901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012901?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.