ChemDiv3_005485
TL;DR: ChemDiv3_005485 (CAS 313516-72-2) is a chemical compound with molecular formula C18H25ClN6O2 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
Also Known As: ChemDiv3_005485, IDI1_023395, BRD-K33964508-001-01-8, 2-(5-(1-(Dimethylamino)cyclohexyl)-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate, 2-{5-[1-(dimethylamino)cyclohexyl]-1H-tetrazol-1-yl}ethyl (4-chlorophenyl)carbamate
| Molecular Formula | C18H25ClN6O2 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 3.2962 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.17276 |
| Heavy Atoms | 27 |
| Complexity | 755.4673 |
Chemical Identifiers
| CAS Number | 313516-72-2 |
|---|---|
| SMILES | CN(C)C1(CCCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_005485 (CAS 313516-72-2), with molecular formula C18H25ClN6O2 and molecular weight 392.17 g/mol. IUPAC: 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of ChemDiv3_005485
Property Insights of ChemDiv3_005485
The XLogP value of 3.2962 indicates that ChemDiv3_005485 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005485. Following Lipinski's Rule of Five, ChemDiv3_005485 has 1 hydrogen bond donor(s) and 6 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_005485?
The CAS number of ChemDiv3_005485 is 313516-72-2.
What is the molecular formula of ChemDiv3_005485?
The molecular formula of ChemDiv3_005485 is C18H25ClN6O2.
What is the molecular weight of ChemDiv3_005485?
The molecular weight of ChemDiv3_005485 is 392.17 g/mol.
Where can I buy ChemDiv3_005485?
You can request a quote for ChemDiv3_005485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005485?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.