BMS-193885 salt
TL;DR: BMS-193885 salt (CAS 679839-66-8) is a chemical compound with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: BMS-193885 salt, Tox21_501016, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-((((3-(4-(3-methoxyphenyl)-1-piperidinyl)propyl)amino)carbonyl)amino)phenyl)-2,6-dimethyl-, 3,5-dimethyl ester, J1.692.874G, BMS-193885, >=98% (HPLC)
| Molecular Formula | C33H42N4O6 |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 4.6672 |
| Topological Polar Surface Area | 118.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.3104 |
| Heavy Atoms | 43 |
| Complexity | 1355.2667 |
Chemical Identifiers
| CAS Number | 679839-66-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC |
Product Overview
BMS-193885 salt (CAS 679839-66-8), with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol. IUPAC: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of BMS-193885 salt
Property Insights of BMS-193885 salt
The XLogP value of 4.6672 indicates that BMS-193885 salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BMS-193885 salt. Following Lipinski's Rule of Five, BMS-193885 salt has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BMS-193885 salt?
The CAS number of BMS-193885 salt is 679839-66-8.
What is the molecular formula of BMS-193885 salt?
The molecular formula of BMS-193885 salt is C33H42N4O6.
What is the molecular weight of BMS-193885 salt?
The molecular weight of BMS-193885 salt is 590.31 g/mol.
Where can I buy BMS-193885 salt?
You can request a quote for BMS-193885 salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BMS-193885 salt?
Yes, KEHONG BIO provides custom synthesis services for BMS-193885 salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.