A 81988
TL;DR: A 81988 (CAS 141887-34-5) is a chemical compound with molecular formula C23H22N6O2 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
Also Known As: A-81988, A 81988, HY-U00188, [3H]A81988, [3H]-A81988
| Molecular Formula | C23H22N6O2 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.18042 |
| Heavy Atoms | 31 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 141887-34-5 |
|---|---|
| SMILES | CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=C(C=CC=N4)C(=O)O |
| InChIKey | DLMNZGAILMQDHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A 81988 (CAS 141887-34-5), with molecular formula C23H22N6O2 and molecular weight 414.18 g/mol. IUPAC: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
Chemical Property Profile of A 81988
Property Insights of A 81988
The XLogP value of 4.1 indicates that A 81988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A 81988. Following Lipinski's Rule of Five, A 81988 has 2 hydrogen bond donor(s) and 7 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 A 81988?
The CAS number of A 81988 is 141887-34-5.
What is the molecular formula of A 81988?
The molecular formula of A 81988 is C23H22N6O2.
What is the molecular weight of A 81988?
The molecular weight of A 81988 is 414.18 g/mol.
Where can I buy A 81988?
You can request a quote for A 81988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 81988?
Yes, KEHONG BIO provides custom synthesis services for A 81988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.