4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide
TL;DR: 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide (CAS 70379-98-5) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide
Also Known As: 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide, 4-[(Methylcarbamothioyl)amino]-N-(propan-2-yl)benzamide
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 1.741 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 400.7167 |
Chemical Identifiers
| CAS Number | 70379-98-5 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC |
Product Overview
4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide (CAS 70379-98-5), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide.
Chemical Property Profile of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide
Property Insights of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide
The XLogP value of 1.741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide. With a topological polar surface area (TPSA) of 53.16 Ų, 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide has 3 hydrogen bond donor(s) and 2 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-(methylcarbamothioylamino)-N-propan-2-ylbenzamide?
The CAS number of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide is 70379-98-5.
What is the molecular formula of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide?
The molecular formula of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide is C12H17N3OS.
What is the molecular weight of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide?
The molecular weight of 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide is 251.11 g/mol.
Where can I buy 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide?
You can request a quote for 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(methylcarbamothioylamino)-N-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.