3,4,5,6-Tetrahydrohippurate
TL;DR: 3,4,5,6-Tetrahydrohippurate (CAS 64253-92-5) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexene-1-carbonylamino)acetic acid
Also Known As: 3,4,5,6-Tetrahydrohippurate, Tetrahydrohippuric acid, 3,4,5,6-tetrahydrohippuric acid, 2-(cyclohexene-1-carbonylamino)acetic acid, N-(1-Cyclohexen-1-ylcarbonyl)glycine
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 64253-92-5 |
|---|---|
| SMILES | C1CCC(=CC1)C(=O)NCC(=O)O |
| InChIKey | OSUSJBWSQBKORT-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydrohippurate (CAS 64253-92-5), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 2-(cyclohexene-1-carbonylamino)acetic acid.
Chemical Property Profile of 3,4,5,6-Tetrahydrohippurate
Property Insights of 3,4,5,6-Tetrahydrohippurate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydrohippurate. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5,6-Tetrahydrohippurate. Following Lipinski's Rule of Five, 3,4,5,6-Tetrahydrohippurate 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 3,4,5,6-Tetrahydrohippurate?
The CAS number of 3,4,5,6-Tetrahydrohippurate is 64253-92-5.
What is the molecular formula of 3,4,5,6-Tetrahydrohippurate?
The molecular formula of 3,4,5,6-Tetrahydrohippurate is C9H13NO3.
What is the molecular weight of 3,4,5,6-Tetrahydrohippurate?
The molecular weight of 3,4,5,6-Tetrahydrohippurate is 183.09 g/mol.
Where can I buy 3,4,5,6-Tetrahydrohippurate?
You can request a quote for 3,4,5,6-Tetrahydrohippurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrahydrohippurate?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydrohippurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.