N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide
TL;DR: N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide (CAS 714282-38-9) is a chemical compound with molecular formula C20H25BrN2O2S and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide
Also Known As: N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide, N-(1-adamantylthiocarbamoyl)-3-bromo-2-methoxy-5-methyl-benzamide, 3-bromo-2-methoxy-5-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)benzamide
| Molecular Formula | C20H25BrN2O2S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 4.33922 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.082 |
| Heavy Atoms | 26 |
| Complexity | 729.13904 |
Chemical Identifiers
| CAS Number | 714282-38-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)OC)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3 |
Product Overview
N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide (CAS 714282-38-9), with molecular formula C20H25BrN2O2S and molecular weight 436.08 g/mol. IUPAC: N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide.
Chemical Property Profile of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide
Property Insights of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide
The XLogP value of 4.33922 indicates that N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide has 2 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 N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide?
The CAS number of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide is 714282-38-9.
What is the molecular formula of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide?
The molecular formula of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide is C20H25BrN2O2S.
What is the molecular weight of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide?
The molecular weight of N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide is 436.08 g/mol.
Where can I buy N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide?
You can request a quote for N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.