![N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide structure](/static/products/7167/7167-40-0.webp)
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 7167-40-0) is a chemical compound with molecular formula C20H20Cl2F2N4O2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-[3-CHLORO-4-(DIFLUOROMETHOXY)PHENYL]-3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE, N-[3-Chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C20H20Cl2F2N4O2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 5.1205 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.09314 |
| Heavy Atoms | 30 |
| Complexity | 984.93616 |
Chemical Identifiers
| CAS Number | 7167-40-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=C(C=C5)OC(F)F)Cl |
Product Overview
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 7167-40-0), with molecular formula C20H20Cl2F2N4O2 and molecular weight 456.09 g/mol. IUPAC: N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 5.1205 indicates that N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 7167-40-0.
What is the molecular formula of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C20H20Cl2F2N4O2.
What is the molecular weight of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 456.09 g/mol.
Where can I buy N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.