Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester
TL;DR: Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester (CAS 112904-66-2) is a chemical compound with molecular formula C14H16O6 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-benzoyloxypentanedioate
Also Known As: dimethyl 3-benzoyloxypentanedioate, Dimethyl 3-(benzoyloxy)pentanedioate, Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester, Dimethyl 3-(benzoyloxy)pentanedioate #, monomethyl (r,s)-3-benzoyloxyglutarate
| Molecular Formula | C14H16O6 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 280.0947 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 112904-66-2 |
|---|---|
| SMILES | COC(=O)CC(CC(=O)OC)OC(=O)C1=CC=CC=C1 |
| InChIKey | GQHSOGJLIBAQSI-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester (CAS 112904-66-2), with molecular formula C14H16O6 and molecular weight 280.09 g/mol. IUPAC: dimethyl 3-benzoyloxypentanedioate.
Chemical Property Profile of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester
Property Insights of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester. Following Lipinski's Rule of Five, Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester?
The CAS number of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester is 112904-66-2.
What is the molecular formula of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester?
The molecular formula of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester is C14H16O6.
What is the molecular weight of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester?
The molecular weight of Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester is 280.09 g/mol.
Where can I buy Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester?
You can request a quote for Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 3-(benzoyloxy)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.