邻苯二甲酸单苄酯
TL;DR: 邻苯二甲酸单苄酯 (CAS 2528-16-7) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸单苄酯
2-phenylmethoxycarbonylbenzoic acid
Also Known As: Monobenzyl phthalate, Mono-benzyl phthalate, Phthalic Acid Monobenzyl Ester, Benzyl hydrogen phthalate, 2-((Benzyloxy)carbonyl)benzoic acid
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 2528-16-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | XIKIUQUXDNHBFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸单苄酯 (CAS 2528-16-7), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 2-phenylmethoxycarbonylbenzoic acid.
Chemical Property Profile of 邻苯二甲酸单苄酯
Property Insights of 邻苯二甲酸单苄酯
The XLogP value of 3.3 indicates that 邻苯二甲酸单苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二甲酸单苄酯. Following Lipinski's Rule of Five, 邻苯二甲酸单苄酯 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 邻苯二甲酸单苄酯?
The CAS number of 邻苯二甲酸单苄酯 is 2528-16-7.
What is the molecular formula of 邻苯二甲酸单苄酯?
The molecular formula of 邻苯二甲酸单苄酯 is C15H12O4.
What is the molecular weight of 邻苯二甲酸单苄酯?
The molecular weight of 邻苯二甲酸单苄酯 is 256.07 g/mol.
Where can I buy 邻苯二甲酸单苄酯?
You can request a quote for 邻苯二甲酸单苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸单苄酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸单苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.