ChemDiv3_005811
TL;DR: ChemDiv3_005811 (CAS 515151-32-3) is a chemical compound with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-1,2,4-triazol-1-yl)-N-[4-(dimethylamino)phenyl]adamantane-1-carboxamide
Also Known As: ChemDiv3_005811, IDI1_023721, BRD-A98372963-001-01-6, 3-(3-CHLORO-1,2,4-TRIAZOL-1-YL)-N-[4-(DIMETHYLAMINO)PHENYL]ADAMANTANE-1-CARBOXAMIDE, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(dimethylamino)phenyl]-1-adamantanecarboxamide
| Molecular Formula | C21H26ClN5O |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.9317 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1826 |
| Heavy Atoms | 28 |
| Complexity | 891.7747 |
Chemical Identifiers
| CAS Number | 515151-32-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl |
Product Overview
ChemDiv3_005811 (CAS 515151-32-3), with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol. IUPAC: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[4-(dimethylamino)phenyl]adamantane-1-carboxamide.
Chemical Property Profile of ChemDiv3_005811
Property Insights of ChemDiv3_005811
The XLogP value of 3.9317 indicates that ChemDiv3_005811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005811. Following Lipinski's Rule of Five, ChemDiv3_005811 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 ChemDiv3_005811?
The CAS number of ChemDiv3_005811 is 515151-32-3.
What is the molecular formula of ChemDiv3_005811?
The molecular formula of ChemDiv3_005811 is C21H26ClN5O.
What is the molecular weight of ChemDiv3_005811?
The molecular weight of ChemDiv3_005811 is 399.18 g/mol.
Where can I buy ChemDiv3_005811?
You can request a quote for ChemDiv3_005811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005811?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.