83-21 R & C
TL;DR: 83-21 R & C (CAS 41191-07-5) is a chemical compound with molecular formula C31H43N3O8 and molecular weight 585.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 83-21 R & C, 1-Piperidinecarboxamide, N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-4-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt), N-(Benzyl-4 piperidino-carbonyle-1) N,N'-dimethyl N'-phenethyl ethylenediamine citrate, 4-benzyl-n-methyl-n-{2-[methyl(2-phenylethyl)amino]ethyl}piperidine-1-carboxamide 2-hydroxypropane-1,2,3-tricarboxylate(1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--4-benzyl-N-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}piperidine-1-carboxamide (1/1)
| Molecular Formula | C31H43N3O8 |
|---|---|
| Molecular Weight | 585.30 g/mol |
| LogP | 2.9189 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 585.305 |
| Heavy Atoms | 42 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 41191-07-5 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)CCN(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | UFQYKKHEQYQKKF-UHFFFAOYSA-N |
Product Overview
83-21 R & C (CAS 41191-07-5), with molecular formula C31H43N3O8 and molecular weight 585.30 g/mol. IUPAC: 4-benzyl-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 83-21 R & C
Property Insights of 83-21 R & C
The XLogP value of 2.9189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 83-21 R & C. The TPSA of 159.0 Ų indicates high polarity, suggesting 83-21 R & C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 83-21 R & C has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 83-21 R & C?
The CAS number of 83-21 R & C is 41191-07-5.
What is the molecular formula of 83-21 R & C?
The molecular formula of 83-21 R & C is C31H43N3O8.
What is the molecular weight of 83-21 R & C?
The molecular weight of 83-21 R & C is 585.30 g/mol.
Where can I buy 83-21 R & C?
You can request a quote for 83-21 R & C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 83-21 R & C?
Yes, KEHONG BIO provides custom synthesis services for 83-21 R & C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.