5-氰基间苯二甲酸
TL;DR: 5-氰基间苯二甲酸 (CAS 23341-13-1) is a chemical compound with molecular formula C9H5NO4 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氰基间苯二甲酸
5-cyanobenzene-1,3-dicarboxylic acid
Also Known As: 5-Cyanoisophthalic acid, 5-cyanobenzene-1,3-dicarboxylic acid, 5-Cyano-1,3-benzenedicarboxylic acid, H2CyIPT, 1,3-Benzenedicarboxylic acid, 5-cyano-
| Molecular Formula | C9H5NO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.02185 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 23341-13-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N |
| InChIKey | YKADUTAIRWMMFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氰基间苯二甲酸 (CAS 23341-13-1), with molecular formula C9H5NO4 and molecular weight 191.02 g/mol. IUPAC: 5-cyanobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-氰基间苯二甲酸
Property Insights of 5-氰基间苯二甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氰基间苯二甲酸. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氰基间苯二甲酸. Following Lipinski's Rule of Five, 5-氰基间苯二甲酸 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 5-氰基间苯二甲酸?
The CAS number of 5-氰基间苯二甲酸 is 23341-13-1.
What is the molecular formula of 5-氰基间苯二甲酸?
The molecular formula of 5-氰基间苯二甲酸 is C9H5NO4.
What is the molecular weight of 5-氰基间苯二甲酸?
The molecular weight of 5-氰基间苯二甲酸 is 191.02 g/mol.
Where can I buy 5-氰基间苯二甲酸?
You can request a quote for 5-氰基间苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氰基间苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氰基间苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.