3-甲基-3-苯基戊二酸
TL;DR: 3-甲基-3-苯基戊二酸 (CAS 4160-92-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-3-苯基戊二酸
3-methyl-3-phenylpentanedioic acid
Also Known As: 3-methyl-3-phenylpentanedioic acid, 3-Methyl-3-phenylglutaric acid, 3-methyl-3-phenylpentanedioicacid, NCIStruc1_000621, NCIStruc2_000545
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 4160-92-3 |
|---|---|
| SMILES | CC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | LEHVKCUBJITYCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-3-苯基戊二酸 (CAS 4160-92-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-methyl-3-phenylpentanedioic acid.
Chemical Property Profile of 3-甲基-3-苯基戊二酸
Property Insights of 3-甲基-3-苯基戊二酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-3-苯基戊二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基-3-苯基戊二酸. Following Lipinski's Rule of Five, 3-甲基-3-苯基戊二酸 has 2 hydrogen bond donor(s) and 4 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-甲基-3-苯基戊二酸?
The CAS number of 3-甲基-3-苯基戊二酸 is 4160-92-3.
What is the molecular formula of 3-甲基-3-苯基戊二酸?
The molecular formula of 3-甲基-3-苯基戊二酸 is C12H14O4.
What is the molecular weight of 3-甲基-3-苯基戊二酸?
The molecular weight of 3-甲基-3-苯基戊二酸 is 222.09 g/mol.
Where can I buy 3-甲基-3-苯基戊二酸?
You can request a quote for 3-甲基-3-苯基戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-3-苯基戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-3-苯基戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.