ChemDiv2_003992
TL;DR: ChemDiv2_003992 (CAS 371128-38-0) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoylamino]-4-methylthiophene-2-carboxylate
Also Known As: ChemDiv2_003992, IDI1_002707, methyl 3-({2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]propanoyl}amino)-4-methylthiophene-2-carboxylate, methyl 3-(2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)propanamido)-4-methylthiophene-2-carboxylate, methyl 3-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylate
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.84594 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 899.8168 |
Chemical Identifiers
| CAS Number | 371128-38-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=C(SC=C2C)C(=O)OC)C |
Product Overview
ChemDiv2_003992 (CAS 371128-38-0), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: methyl 3-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoylamino]-4-methylthiophene-2-carboxylate.
Chemical Property Profile of ChemDiv2_003992
Property Insights of ChemDiv2_003992
The XLogP value of 3.84594 indicates that ChemDiv2_003992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003992. Following Lipinski's Rule of Five, ChemDiv2_003992 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_003992?
The CAS number of ChemDiv2_003992 is 371128-38-0.
What is the molecular formula of ChemDiv2_003992?
The molecular formula of ChemDiv2_003992 is C18H19N3O3S2.
What is the molecular weight of ChemDiv2_003992?
The molecular weight of ChemDiv2_003992 is 389.09 g/mol.
Where can I buy ChemDiv2_003992?
You can request a quote for ChemDiv2_003992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003992?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.