adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide
TL;DR: adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide (CAS 331950-16-4) is a chemical compound with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitro-5-phenylsulfanylphenyl)adamantane-1-carboxamide
Also Known As: BAS 00666445, adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide, N-(3-nitro-5-phenylsulfanylphenyl)adamantane-1-carboxamide, (3r,5r,7r)-N-(3-nitro-5-(phenylthio)phenyl)adamantane-1-carboxamide, Adamantane-1-carboxylic acid (3-nitro-5-phenylsulfanyl-phenyl)-amide
| Molecular Formula | C23H24N2O3S |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 5.9009 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.15076 |
| Heavy Atoms | 29 |
| Complexity | 924.56604 |
Chemical Identifiers
| CAS Number | 331950-16-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide (CAS 331950-16-4), with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol. IUPAC: N-(3-nitro-5-phenylsulfanylphenyl)adamantane-1-carboxamide.
Chemical Property Profile of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide
Property Insights of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide
The XLogP value of 5.9009 indicates that adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide. Following Lipinski's Rule of Five, adamantanyl-N-(3-nitro-5-phenylthiophenyl)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 adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide?
The CAS number of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide is 331950-16-4.
What is the molecular formula of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide?
The molecular formula of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide is C23H24N2O3S.
What is the molecular weight of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide?
The molecular weight of adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide is 408.15 g/mol.
Where can I buy adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide?
You can request a quote for adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide?
Yes, KEHONG BIO provides custom synthesis services for adamantanyl-N-(3-nitro-5-phenylthiophenyl)carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.