UPCMLD0ENAT0514-1430:001
TL;DR: UPCMLD0ENAT0514-1430:001 (CAS 201274-19-3) is a chemical compound with molecular formula C27H22BrN5O2S and molecular weight 559.07 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-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: UPCMLD0ENAT0514-1430:001, AE-848/08335046, 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide, 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide, 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
| Molecular Formula | C27H22BrN5O2S |
|---|---|
| Molecular Weight | 559.07 g/mol |
| LogP | 5.55068 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.06775 |
| Heavy Atoms | 36 |
| Complexity | 1366.7827 |
Chemical Identifiers
| CAS Number | 201274-19-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT0514-1430:001 (CAS 201274-19-3), with molecular formula C27H22BrN5O2S and molecular weight 559.07 g/mol. IUPAC: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT0514-1430:001
Property Insights of UPCMLD0ENAT0514-1430:001
The XLogP value of 5.55068 indicates that UPCMLD0ENAT0514-1430:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.91 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0514-1430:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0514-1430:001 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 UPCMLD0ENAT0514-1430:001?
The CAS number of UPCMLD0ENAT0514-1430:001 is 201274-19-3.
What is the molecular formula of UPCMLD0ENAT0514-1430:001?
The molecular formula of UPCMLD0ENAT0514-1430:001 is C27H22BrN5O2S.
What is the molecular weight of UPCMLD0ENAT0514-1430:001?
The molecular weight of UPCMLD0ENAT0514-1430:001 is 559.07 g/mol.
Where can I buy UPCMLD0ENAT0514-1430:001?
You can request a quote for UPCMLD0ENAT0514-1430:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0514-1430:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0514-1430:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.