Gabapentin
TL;DR: Gabapentin (CAS 60142-96-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(aminomethyl)cyclohexyl]acetic acid
Also Known As: gabapentin, Neurontin, Gabapentine, Gabapetin, Aclonium
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.12593 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| Melting Point | 162-166 °C; also reported as 165-167 °C |
| Solubility | >100mg/mL |
| SMILES | C1CCC(CC1)(CC(=O)O)CN |
| InChIKey | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
Product Description
Applications: Gabapentin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Gabapentin (CAS 60142-96-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Gabapentin (CAS 60142-96-3) has the molecular formula C9H17NO2 and a molecular weight of 171.13 g/mol. Reported properties include a solubility: >100mg/mL. It is also known as gabapentin and Neurontin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Gabapentin
Property Insights of Gabapentin
The XLogP value of -1.1 indicates that Gabapentin 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 Gabapentin. Following Lipinski's Rule of Five, Gabapentin 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
What is the CAS number of Gabapentin?
The CAS number of Gabapentin is 60142-96-3.
What is the molecular formula of Gabapentin?
The molecular formula of Gabapentin is C9H17NO2.
What is the molecular weight of Gabapentin?
The molecular weight of Gabapentin is 171.12593 g/mol.
What are the applications of Gabapentin?
Gabapentin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Gabapentin (CAS 60142-96-3) with custom...
Where can I buy Gabapentin?
You can request a quote for Gabapentin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gabapentin?
Yes, CoreyChem provides custom synthesis services for Gabapentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.