2-(4-氯苄基)丁二酸
TL;DR: 2-(4-氯苄基)丁二酸 (CAS 56820-41-8) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-氯苄基)丁二酸
2-[(4-chlorophenyl)methyl]butanedioic acid
Also Known As: 2-(4-chlorobenzyl)succinic acid, p-Chlorbenzylbernsteinsaeure, 2-[(4-chlorophenyl)methyl]butanedioic acid, 2-(4-chlorobenzyl)butanedioic acid, (4-chloro-benzyl)-succinic acid
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 56820-41-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CC(=O)O)C(=O)O)Cl |
| InChIKey | ZUYLPFIRBGKDRV-UHFFFAOYSA-N |
Product Overview
2-(4-氯苄基)丁二酸 (CAS 56820-41-8), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]butanedioic acid.
Chemical Property Profile of 2-(4-氯苄基)丁二酸
Property Insights of 2-(4-氯苄基)丁二酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-氯苄基)丁二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-氯苄基)丁二酸. Following Lipinski's Rule of Five, 2-(4-氯苄基)丁二酸 has 2 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 2-(4-氯苄基)丁二酸?
The CAS number of 2-(4-氯苄基)丁二酸 is 56820-41-8.
What is the molecular formula of 2-(4-氯苄基)丁二酸?
The molecular formula of 2-(4-氯苄基)丁二酸 is C11H11ClO4.
What is the molecular weight of 2-(4-氯苄基)丁二酸?
The molecular weight of 2-(4-氯苄基)丁二酸 is 242.03 g/mol.
Where can I buy 2-(4-氯苄基)丁二酸?
You can request a quote for 2-(4-氯苄基)丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苄基)丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苄基)丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.