Benzyl hydrogen maleate
TL;DR: Benzyl hydrogen maleate (CAS 13474-68-5) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-oxo-4-phenylmethoxybut-2-enoic acid
Also Known As: benzyl hydrogen maleate, Maleic acid 1-benzyl ester, Maleic acid hydrogen 1-benzyl ester, 1-(Phenylmethyl) (2Z)-2-butenedioate, (2Z)-4-(benzyloxy)-4-oxobut-2-enoic acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.3706 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 367.43414 |
Chemical Identifiers
| CAS Number | 13474-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)/C=C\C(=O)O |
Product Overview
Benzyl hydrogen maleate (CAS 13474-68-5), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: (Z)-4-oxo-4-phenylmethoxybut-2-enoic acid.
Chemical Property Profile of Benzyl hydrogen maleate
Property Insights of Benzyl hydrogen maleate
The XLogP value of 1.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl hydrogen maleate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl hydrogen maleate. Following Lipinski's Rule of Five, Benzyl hydrogen maleate has 1 hydrogen bond donor(s) and 3 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 Benzyl hydrogen maleate?
The CAS number of Benzyl hydrogen maleate is 13474-68-5.
What is the molecular formula of Benzyl hydrogen maleate?
The molecular formula of Benzyl hydrogen maleate is C11H10O4.
What is the molecular weight of Benzyl hydrogen maleate?
The molecular weight of Benzyl hydrogen maleate is 206.06 g/mol.
Where can I buy Benzyl hydrogen maleate?
You can request a quote for Benzyl hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.