普瑞巴林
TL;DR: 普瑞巴林 (CAS 1414928-41-8) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
普瑞巴林
(3S)-3-(aminomethyl)-5-methylhexanoic acid
Also Known As: Pregabalin, Lyrica, (S)-Pregabalin, 3-isobutyl GABA, Pregabaline
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.0821 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 123.26047 |
Chemical Identifiers
| CAS Number | 1414928-41-8 |
|---|---|
| SMILES | CC(C)C[C@@H](CC(=O)O)CN |
Product Overview
普瑞巴林 (CAS 1414928-41-8), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: (3S)-3-(aminomethyl)-5-methylhexanoic acid.
Chemical Property Profile of 普瑞巴林
Property Insights of 普瑞巴林
The XLogP value of 1.0821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 普瑞巴林. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 普瑞巴林. Following Lipinski's Rule of Five, 普瑞巴林 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 普瑞巴林?
The CAS number of 普瑞巴林 is 1414928-41-8.
What is the molecular formula of 普瑞巴林?
The molecular formula of 普瑞巴林 is C8H17NO2.
What is the molecular weight of 普瑞巴林?
The molecular weight of 普瑞巴林 is 159.13 g/mol.
Where can I buy 普瑞巴林?
You can request a quote for 普瑞巴林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 普瑞巴林?
Yes, KEHONG BIO provides custom synthesis services for 普瑞巴林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.