2,2-二甲基戊二酸
TL;DR: 2,2-二甲基戊二酸 (CAS 681-57-2) 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.
2,2-二甲基戊二酸
2,2-dimethylpentanedioic acid
Also Known As: 2,2-DIMETHYLGLUTARIC ACID, 2,2-Dimethylpentanedioic acid, 2,2-Dimethylglutaricacid, dimethylglutaric acid, Pentanedioic acid, dimethyl-
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.7 |
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 681-57-2 |
|---|---|
| SMILES | CC(C)(CCC(=O)O)C(=O)O |
| InChIKey | BTUDGPVTCYNYLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基戊二酸 (CAS 681-57-2), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2,2-dimethylpentanedioic acid.
Chemical Property Profile of 2,2-二甲基戊二酸
Property Insights of 2,2-二甲基戊二酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基戊二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-二甲基戊二酸. Following Lipinski's Rule of Five, 2,2-二甲基戊二酸 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 2,2-二甲基戊二酸?
The CAS number of 2,2-二甲基戊二酸 is 681-57-2.
What is the molecular formula of 2,2-二甲基戊二酸?
The molecular formula of 2,2-二甲基戊二酸 is C7H12O4.
What is the molecular weight of 2,2-二甲基戊二酸?
The molecular weight of 2,2-二甲基戊二酸 is 160.07 g/mol.
Where can I buy 2,2-二甲基戊二酸?
You can request a quote for 2,2-二甲基戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.