ChemDiv1_028828
TL;DR: ChemDiv1_028828 (CAS 370849-70-0) is a chemical compound with molecular formula C23H20BrN3O3S2 and molecular weight 529.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028828, allyl 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 6-({[(4-BROMOPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-2-METHYL-4-(THIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-en-1-yl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H20BrN3O3S2 |
|---|---|
| Molecular Weight | 529.01 g/mol |
| LogP | 5.30768 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.01294 |
| Heavy Atoms | 32 |
| Complexity | 1116.3555 |
Chemical Identifiers
| CAS Number | 370849-70-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CS3)C(=O)OCC=C |
Product Overview
ChemDiv1_028828 (CAS 370849-70-0), with molecular formula C23H20BrN3O3S2 and molecular weight 529.01 g/mol. IUPAC: prop-2-enyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028828
Property Insights of ChemDiv1_028828
The XLogP value of 5.30768 indicates that ChemDiv1_028828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028828. Following Lipinski's Rule of Five, ChemDiv1_028828 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028828?
The CAS number of ChemDiv1_028828 is 370849-70-0.
What is the molecular formula of ChemDiv1_028828?
The molecular formula of ChemDiv1_028828 is C23H20BrN3O3S2.
What is the molecular weight of ChemDiv1_028828?
The molecular weight of ChemDiv1_028828 is 529.01 g/mol.
Where can I buy ChemDiv1_028828?
You can request a quote for ChemDiv1_028828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028828?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.