ChemDiv1_024371
TL;DR: ChemDiv1_024371 (CAS 332162-36-4) is a chemical compound with molecular formula C29H25BrN4O3S and molecular weight 588.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: ChemDiv1_024371, BAS 01235434, 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide, F0421-0060, 6-({[(4-BROMOPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-N-(2-METHOXYPHENYL)-2-METHYL-4-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE
| Molecular Formula | C29H25BrN4O3S |
|---|---|
| Molecular Weight | 588.08 g/mol |
| LogP | 6.16428 |
| Topological Polar Surface Area | 103.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.08307 |
| Heavy Atoms | 38 |
| Complexity | 1446.6499 |
Chemical Identifiers
| CAS Number | 332162-36-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC |
Product Overview
ChemDiv1_024371 (CAS 332162-36-4), with molecular formula C29H25BrN4O3S and molecular weight 588.08 g/mol. IUPAC: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_024371
Property Insights of ChemDiv1_024371
The XLogP value of 6.16428 indicates that ChemDiv1_024371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024371. Following Lipinski's Rule of Five, ChemDiv1_024371 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024371?
The CAS number of ChemDiv1_024371 is 332162-36-4.
What is the molecular formula of ChemDiv1_024371?
The molecular formula of ChemDiv1_024371 is C29H25BrN4O3S.
What is the molecular weight of ChemDiv1_024371?
The molecular weight of ChemDiv1_024371 is 588.08 g/mol.
Where can I buy ChemDiv1_024371?
You can request a quote for ChemDiv1_024371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024371?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.