加巴喷丁
TL;DR: 加巴喷丁 (CAS 60142-96-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
加巴喷丁
2-[1-(aminomethyl)cyclohexyl]acetic acid
Also Known As: gabapentin, Neurontin, Gabapentine, Gabapetin, Aclonium
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| Melting Point | 162-166 °C; also reported as 165-167 °C |
| Solubility | >100mg/mL |
Chemical Identifiers
| CAS Number | 60142-96-3 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)O)CN |
| InChIKey | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
加巴喷丁 (CAS 60142-96-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: 2-[1-(aminomethyl)cyclohexyl]acetic acid.
Chemical Property Profile of 加巴喷丁
Property Insights of 加巴喷丁
The XLogP value of -1.1 indicates that 加巴喷丁 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 加巴喷丁. Following Lipinski's Rule of Five, 加巴喷丁 has 2 hydrogen bond donor(s) and 3 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 加巴喷丁?
The CAS number of 加巴喷丁 is 60142-96-3.
What is the molecular formula of 加巴喷丁?
The molecular formula of 加巴喷丁 is C9H17NO2.
What is the molecular weight of 加巴喷丁?
The molecular weight of 加巴喷丁 is 171.13 g/mol.
Where can I buy 加巴喷丁?
You can request a quote for 加巴喷丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 加巴喷丁?
Yes, KEHONG BIO provides custom synthesis services for 加巴喷丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.