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N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide
TL;DR: N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide (CAS 691867-50-2) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide
Also Known As: N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide, AS-871/42851073, N-((3-methoxyphenyl)carbamothioyl)-3,3-dimethylbutanamide, F3099-0420, N-(3,3-dimethylbutanoyl)-N'-(3-methoxyphenyl)thiourea
| Molecular Formula | C14H20N2O2S |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.12454 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 691867-50-2 |
|---|---|
| SMILES | CC(C)(C)CC(=O)NC(=S)NC1=CC(=CC=C1)OC |
| InChIKey | QPHUSUJUTOTSOV-UHFFFAOYSA-N |
Product Overview
N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide (CAS 691867-50-2), with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol. IUPAC: N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide.
Chemical Property Profile of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide
Property Insights of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide
The XLogP value of 3.5 indicates that N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide. Following Lipinski's Rule of Five, N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide 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-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide?
The CAS number of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide is 691867-50-2.
What is the molecular formula of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide?
The molecular formula of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide is C14H20N2O2S.
What is the molecular weight of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide?
The molecular weight of N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide is 280.12 g/mol.
Where can I buy N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide?
You can request a quote for N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methoxyphenyl)carbamothioyl]-3,3-dimethylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.