7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- (CAS 5464-13-1) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R)-3-phenylmethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 5-18-07-00033 (Beilstein Handbook Reference), exo-cis-7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid benzyl ester, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-, (1s,4r)-3-[(benzyloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(Benzyloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 5464-13-1 |
|---|---|
| SMILES | C1C[C@@H]2C(C([C@H]1O2)C(=O)O)C(=O)OCC3=CC=CC=C3 |
| InChIKey | FPOUQQHQTRACGO-ZFDZMSFRSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- (CAS 5464-13-1), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: (1S,4R)-3-phenylmethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- has 1 hydrogen bond donor(s) and 5 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 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- is 5464-13-1.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- is C15H16O5.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- is 276.10 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.