正戊基丙二酸
TL;DR: 正戊基丙二酸 (CAS 616-88-6) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正戊基丙二酸
2-pentylpropanedioic acid
Also Known As: n-Pentylmalonic acid, 2-pentylpropanedioic acid, n-Pentylmalonate, 2-Pentylmalonic acid, hexandicarbonsaure
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 616-88-6 |
|---|---|
| SMILES | CCCCCC(C(=O)O)C(=O)O |
| InChIKey | LAWHHRXCBUNWFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正戊基丙二酸 (CAS 616-88-6), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-pentylpropanedioic acid.
Chemical Property Profile of 正戊基丙二酸
Property Insights of 正戊基丙二酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正戊基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 正戊基丙二酸. Following Lipinski's Rule of Five, 正戊基丙二酸 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 正戊基丙二酸?
The CAS number of 正戊基丙二酸 is 616-88-6.
What is the molecular formula of 正戊基丙二酸?
The molecular formula of 正戊基丙二酸 is C8H14O4.
What is the molecular weight of 正戊基丙二酸?
The molecular weight of 正戊基丙二酸 is 174.09 g/mol.
Where can I buy 正戊基丙二酸?
You can request a quote for 正戊基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正戊基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 正戊基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.