2-羧基-γ-氧代苯丁酸
TL;DR: 2-羧基-γ-氧代苯丁酸 (CAS 27415-09-4) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羧基-γ-氧代苯丁酸
2-(3-carboxypropanoyl)benzoic acid
Also Known As: 2-Succinylbenzoate, O-succinylbenzoate, 2-(3-Carboxypropanoyl)benzoic acid, Succinylbenzoate, o-Succinylbenzoic acid
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 27415-09-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CCC(=O)O)C(=O)O |
| InChIKey | YIVWQNVQRXFZJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羧基-γ-氧代苯丁酸 (CAS 27415-09-4), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: 2-(3-carboxypropanoyl)benzoic acid.
Chemical Property Profile of 2-羧基-γ-氧代苯丁酸
Property Insights of 2-羧基-γ-氧代苯丁酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羧基-γ-氧代苯丁酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羧基-γ-氧代苯丁酸. Following Lipinski's Rule of Five, 2-羧基-γ-氧代苯丁酸 has 2 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 2-羧基-γ-氧代苯丁酸?
The CAS number of 2-羧基-γ-氧代苯丁酸 is 27415-09-4.
What is the molecular formula of 2-羧基-γ-氧代苯丁酸?
The molecular formula of 2-羧基-γ-氧代苯丁酸 is C11H10O5.
What is the molecular weight of 2-羧基-γ-氧代苯丁酸?
The molecular weight of 2-羧基-γ-氧代苯丁酸 is 222.05 g/mol.
Where can I buy 2-羧基-γ-氧代苯丁酸?
You can request a quote for 2-羧基-γ-氧代苯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羧基-γ-氧代苯丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羧基-γ-氧代苯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.