D054-0191
TL;DR: D054-0191 (CAS 832685-00-4) is a chemical compound with molecular formula C15H16ClN3O3S2 and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: D054-0191, ETHYL 2-[5-CHLORO-2-(METHYLSULFANYL)PYRIMIDINE-4-AMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-({[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C15H16ClN3O3S2 |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 3.95924 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.03217 |
| Heavy Atoms | 24 |
| Complexity | 792.5117 |
Chemical Identifiers
| CAS Number | 832685-00-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
D054-0191 (CAS 832685-00-4), with molecular formula C15H16ClN3O3S2 and molecular weight 385.03 g/mol. IUPAC: ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of D054-0191
Property Insights of D054-0191
The XLogP value of 3.95924 indicates that D054-0191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for D054-0191. Following Lipinski's Rule of Five, D054-0191 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 D054-0191?
The CAS number of D054-0191 is 832685-00-4.
What is the molecular formula of D054-0191?
The molecular formula of D054-0191 is C15H16ClN3O3S2.
What is the molecular weight of D054-0191?
The molecular weight of D054-0191 is 385.03 g/mol.
Where can I buy D054-0191?
You can request a quote for D054-0191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D054-0191?
Yes, KEHONG BIO provides custom synthesis services for D054-0191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.