Alfentanil citrate
TL;DR: Alfentanil citrate (CAS 153176-13-7) is a chemical compound with molecular formula C27H40N6O10 and molecular weight 608.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Alfentanil citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide (1/1), N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide; 2-hydroxypropane-1,2,3-tricarboxylic acid, Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)-4-piperidinyl)-N-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate
| Molecular Formula | C27H40N6O10 |
|---|---|
| Molecular Weight | 608.28 g/mol |
| LogP | 0.1354 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 608.2806 |
| Heavy Atoms | 43 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 153176-13-7 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | CNFIIGJQEIQCSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alfentanil citrate (CAS 153176-13-7), with molecular formula C27H40N6O10 and molecular weight 608.28 g/mol. IUPAC: N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Alfentanil citrate
Property Insights of Alfentanil citrate
The XLogP value of 0.1354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alfentanil citrate. The TPSA of 213.0 Ų indicates high polarity, suggesting Alfentanil citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alfentanil citrate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alfentanil citrate?
The CAS number of Alfentanil citrate is 153176-13-7.
What is the molecular formula of Alfentanil citrate?
The molecular formula of Alfentanil citrate is C27H40N6O10.
What is the molecular weight of Alfentanil citrate?
The molecular weight of Alfentanil citrate is 608.28 g/mol.
Where can I buy Alfentanil citrate?
You can request a quote for Alfentanil citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alfentanil citrate?
Yes, KEHONG BIO provides custom synthesis services for Alfentanil citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.