1-(Phenylmethyl) butanedioate
TL;DR: 1-(Phenylmethyl) butanedioate (CAS 103-40-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-phenylmethoxybutanoic acid
Also Known As: 4-(benzyloxy)-4-oxobutanoic acid, Succinic acid monobenzyl ester, Benzylsuccinate, Benzyl succinate, monobenzyl succinate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 103-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCC(=O)O |
| InChIKey | UGUBQKZSNQWWEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylmethyl) butanedioate (CAS 103-40-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of 1-(Phenylmethyl) butanedioate
Property Insights of 1-(Phenylmethyl) butanedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylmethyl) butanedioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylmethyl) butanedioate. Following Lipinski's Rule of Five, 1-(Phenylmethyl) butanedioate 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 1-(Phenylmethyl) butanedioate?
The CAS number of 1-(Phenylmethyl) butanedioate is 103-40-2.
What is the molecular formula of 1-(Phenylmethyl) butanedioate?
The molecular formula of 1-(Phenylmethyl) butanedioate is C11H12O4.
What is the molecular weight of 1-(Phenylmethyl) butanedioate?
The molecular weight of 1-(Phenylmethyl) butanedioate is 208.07 g/mol.
Where can I buy 1-(Phenylmethyl) butanedioate?
You can request a quote for 1-(Phenylmethyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylmethyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylmethyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.