五甲基苯甲酸
TL;DR: 五甲基苯甲酸 (CAS 2243-32-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五甲基苯甲酸
2,3,4,5,6-pentamethylbenzoic acid
Also Known As: Pentamethylbenzoic acid, 2,3,4,5,6-Pentamethylbenzoic acid, PENTAMETHYLBENZOICACID, Benzoic acid, pentamethyl-, rarechem al bo 0275
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 2243-32-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)O)C)C |
| InChIKey | MNLKGWIYXCKWBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五甲基苯甲酸 (CAS 2243-32-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2,3,4,5,6-pentamethylbenzoic acid.
Chemical Property Profile of 五甲基苯甲酸
Property Insights of 五甲基苯甲酸
The XLogP value of 3.3 indicates that 五甲基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 五甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五甲基苯甲酸 has 1 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 五甲基苯甲酸?
The CAS number of 五甲基苯甲酸 is 2243-32-5.
What is the molecular formula of 五甲基苯甲酸?
The molecular formula of 五甲基苯甲酸 is C12H16O2.
What is the molecular weight of 五甲基苯甲酸?
The molecular weight of 五甲基苯甲酸 is 192.12 g/mol.
Where can I buy 五甲基苯甲酸?
You can request a quote for 五甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 五甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.