3-苯基庚二酸
TL;DR: 3-苯基庚二酸 (CAS 26372-51-0) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基庚二酸
3-phenylheptanedioic acid
Also Known As: 3-phenylheptanedioic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 26372-51-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCC(=O)O)CC(=O)O |
| InChIKey | SHPGSTDMKDEPKZ-UHFFFAOYSA-N |
Product Overview
3-苯基庚二酸 (CAS 26372-51-0), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 3-phenylheptanedioic acid.
Chemical Property Profile of 3-苯基庚二酸
Property Insights of 3-苯基庚二酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基庚二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-苯基庚二酸. Following Lipinski's Rule of Five, 3-苯基庚二酸 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-苯基庚二酸?
The CAS number of 3-苯基庚二酸 is 26372-51-0.
What is the molecular formula of 3-苯基庚二酸?
The molecular formula of 3-苯基庚二酸 is C13H16O4.
What is the molecular weight of 3-苯基庚二酸?
The molecular weight of 3-苯基庚二酸 is 236.10 g/mol.
Where can I buy 3-苯基庚二酸?
You can request a quote for 3-苯基庚二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基庚二酸?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基庚二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.