![N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide structure](/static/products/4450/445015-73-6.webp)
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445015-73-6) is a chemical compound with molecular formula C25H24Cl2N4OS and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide, N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-{2-[(4-CHLOROPHENYL)SULFANYL]PHENYL}-3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C25H24Cl2N4OS |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 6.6703 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1048 |
| Heavy Atoms | 33 |
| Complexity | 1197.1259 |
Chemical Identifiers
| CAS Number | 445015-73-6 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC=CC=C5SC6=CC=C(C=C6)Cl |
Product Overview
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445015-73-6), with molecular formula C25H24Cl2N4OS and molecular weight 498.10 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 6.6703 indicates that N-[2-(4-chlorophenyl)sulfanylphenyl]-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. With a topological polar surface area (TPSA) of 59.81 Ų, N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(4-chlorophenyl)sulfanylphenyl]-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-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 445015-73-6.
What is the molecular formula of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C25H24Cl2N4OS.
What is the molecular weight of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 498.10 g/mol.
Where can I buy N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-[2-(4-chlorophenyl)sulfanylphenyl]-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-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-chlorophenyl)sulfanylphenyl]-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.