4,7-二氧代-7-苯基庚酸
TL;DR: 4,7-二氧代-7-苯基庚酸 (CAS 6336-53-4) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-二氧代-7-苯基庚酸
4,7-dioxo-7-phenylheptanoic acid
Also Known As: 4,7-dioxo-7-phenylheptanoic acid, 4,7-dioxo-7-phenyl-heptanoic acid, gamma,zeta-Dioxobenzeneheptanoic acid, Benzeneheptanoic acid, gamma,zeta-dioxo-, gamma,?-dioxobenzeneheptanoic acid
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6336-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)CCC(=O)O |
| InChIKey | DCNLNHPQCXZOHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-二氧代-7-苯基庚酸 (CAS 6336-53-4), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 4,7-dioxo-7-phenylheptanoic acid.
Chemical Property Profile of 4,7-二氧代-7-苯基庚酸
Property Insights of 4,7-二氧代-7-苯基庚酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-二氧代-7-苯基庚酸. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-二氧代-7-苯基庚酸. Following Lipinski's Rule of Five, 4,7-二氧代-7-苯基庚酸 has 1 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 4,7-二氧代-7-苯基庚酸?
The CAS number of 4,7-二氧代-7-苯基庚酸 is 6336-53-4.
What is the molecular formula of 4,7-二氧代-7-苯基庚酸?
The molecular formula of 4,7-二氧代-7-苯基庚酸 is C13H14O4.
What is the molecular weight of 4,7-二氧代-7-苯基庚酸?
The molecular weight of 4,7-二氧代-7-苯基庚酸 is 234.09 g/mol.
Where can I buy 4,7-二氧代-7-苯基庚酸?
You can request a quote for 4,7-二氧代-7-苯基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-二氧代-7-苯基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 4,7-二氧代-7-苯基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.