![4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate structure](/static/products/4052/405277-55-6.webp)
4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate
TL;DR: 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate (CAS 405277-55-6) is a chemical compound with molecular formula C19H22N2OS and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(adamantane-1-carbonylamino)-3-methylphenyl] thiocyanate
Also Known As: 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate, [4-(adamantane-1-carbonylamino)-3-methylphenyl] thiocyanate, adamantanyl-N-(4-cyanothio-2-methylphenyl)carboxamide, N-(2-methyl-4-thiocyanatophenyl)adamantane-1-carboxamide, A2492/0105978
| Molecular Formula | C19H22N2OS |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1453 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 405277-55-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)SC#N)NC(=O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | AWKGKUYQISDLHA-UHFFFAOYSA-N |
Product Overview
4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate (CAS 405277-55-6), with molecular formula C19H22N2OS and molecular weight 326.15 g/mol. IUPAC: [4-(adamantane-1-carbonylamino)-3-methylphenyl] thiocyanate.
Chemical Property Profile of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate
Property Insights of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate
The XLogP value of 4.6 indicates that 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate. Following Lipinski's Rule of Five, 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate has 1 hydrogen bond donor(s) and 3 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 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate?
The CAS number of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate is 405277-55-6.
What is the molecular formula of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate?
The molecular formula of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate is C19H22N2OS.
What is the molecular weight of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate?
The molecular weight of 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate is 326.15 g/mol.
Where can I buy 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate?
You can request a quote for 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Adamantylcarbonyl)amino]-3-methylphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.