UPCMLD0ENAT0506-1193:001
TL;DR: UPCMLD0ENAT0506-1193:001 (CAS 379701-39-0) is a chemical compound with molecular formula C27H21BrClN5O2S and molecular weight 593.03 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-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: UPCMLD0ENAT0506-1193:001, 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-N-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide, 6-({[(4-BROMOPHENYL)CARBAMOYL]METHYL}SULFANYL)-N-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-1,4-DIHYDRO-[4,4'-BIPYRIDINE]-3-CARBOXAMIDE, F0894-0043, 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H21BrClN5O2S |
|---|---|
| Molecular Weight | 593.03 g/mol |
| LogP | 6.20408 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.0288 |
| Heavy Atoms | 37 |
| Complexity | 1417.9055 |
Chemical Identifiers
| CAS Number | 379701-39-0 |
|---|---|
| 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=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT0506-1193:001 (CAS 379701-39-0), with molecular formula C27H21BrClN5O2S and molecular weight 593.03 g/mol. IUPAC: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT0506-1193:001
Property Insights of UPCMLD0ENAT0506-1193:001
The XLogP value of 6.20408 indicates that UPCMLD0ENAT0506-1193:001 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 UPCMLD0ENAT0506-1193:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-1193:001 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 UPCMLD0ENAT0506-1193:001?
The CAS number of UPCMLD0ENAT0506-1193:001 is 379701-39-0.
What is the molecular formula of UPCMLD0ENAT0506-1193:001?
The molecular formula of UPCMLD0ENAT0506-1193:001 is C27H21BrClN5O2S.
What is the molecular weight of UPCMLD0ENAT0506-1193:001?
The molecular weight of UPCMLD0ENAT0506-1193:001 is 593.03 g/mol.
Where can I buy UPCMLD0ENAT0506-1193:001?
You can request a quote for UPCMLD0ENAT0506-1193:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-1193:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-1193:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.