肯普酸
TL;DR: 肯普酸 (CAS 118514-35-5) is a chemical compound with molecular formula C12H18O6 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肯普酸
1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
Also Known As: Kemp's triacid, Kemp's acid, cis,cis-1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylic acid, TMC-TCA cpd, KEMP'STRIACID
| Molecular Formula | C12H18O6 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.11035 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 118514-35-5 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)C(=O)O)(C)C(=O)O)C(=O)O |
| InChIKey | AZWHPGZNOIYGFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肯普酸 (CAS 118514-35-5), with molecular formula C12H18O6 and molecular weight 258.11 g/mol. IUPAC: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid.
Chemical Property Profile of 肯普酸
Property Insights of 肯普酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 肯普酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 肯普酸. Following Lipinski's Rule of Five, 肯普酸 has 3 hydrogen bond donor(s) and 6 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 肯普酸?
The CAS number of 肯普酸 is 118514-35-5.
What is the molecular formula of 肯普酸?
The molecular formula of 肯普酸 is C12H18O6.
What is the molecular weight of 肯普酸?
The molecular weight of 肯普酸 is 258.11 g/mol.
Where can I buy 肯普酸?
You can request a quote for 肯普酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肯普酸?
Yes, KEHONG BIO provides custom synthesis services for 肯普酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.