BAS 00865598
TL;DR: BAS 00865598 (CAS 207003-73-4) is a chemical compound with molecular formula C27H23BrN4O4S and molecular weight 578.06 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-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865598, BIM-0023454.P001, 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H23BrN4O4S |
|---|---|
| Molecular Weight | 578.06 g/mol |
| LogP | 5.75728 |
| Topological Polar Surface Area | 116.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.0623 |
| Heavy Atoms | 37 |
| Complexity | 1408.9127 |
Chemical Identifiers
| CAS Number | 207003-73-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC |
Product Overview
BAS 00865598 (CAS 207003-73-4), with molecular formula C27H23BrN4O4S and molecular weight 578.06 g/mol. IUPAC: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865598
Property Insights of BAS 00865598
The XLogP value of 5.75728 indicates that BAS 00865598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865598. Following Lipinski's Rule of Five, BAS 00865598 has 3 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 BAS 00865598?
The CAS number of BAS 00865598 is 207003-73-4.
What is the molecular formula of BAS 00865598?
The molecular formula of BAS 00865598 is C27H23BrN4O4S.
What is the molecular weight of BAS 00865598?
The molecular weight of BAS 00865598 is 578.06 g/mol.
Where can I buy BAS 00865598?
You can request a quote for BAS 00865598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865598?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.