3,3-二甲基戊二酸
TL;DR: 3,3-二甲基戊二酸 (CAS 4839-46-7) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基戊二酸
3,3-dimethylpentanedioic acid
Also Known As: 3,3-DIMETHYLGLUTARIC ACID, 3,3-Dimethylpentanedioic acid, Pentanedioic acid, 3,3-dimethyl-, 3,3-Dimethylglutarate, b,b-Dimethylglutarate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| Melting Point | 103.5 °C |
Chemical Identifiers
| CAS Number | 4839-46-7 |
|---|---|
| SMILES | CC(C)(CC(=O)O)CC(=O)O |
| InChIKey | DUHQIGLHYXLKAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基戊二酸 (CAS 4839-46-7), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 3,3-dimethylpentanedioic acid.
Chemical Property Profile of 3,3-二甲基戊二酸
Property Insights of 3,3-二甲基戊二酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基戊二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-二甲基戊二酸. Following Lipinski's Rule of Five, 3,3-二甲基戊二酸 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 3,3-二甲基戊二酸?
The CAS number of 3,3-二甲基戊二酸 is 4839-46-7.
What is the molecular formula of 3,3-二甲基戊二酸?
The molecular formula of 3,3-二甲基戊二酸 is C7H12O4.
What is the molecular weight of 3,3-二甲基戊二酸?
The molecular weight of 3,3-二甲基戊二酸 is 160.07 g/mol.
Where can I buy 3,3-二甲基戊二酸?
You can request a quote for 3,3-二甲基戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.