4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide
TL;DR: 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide (CAS 52777-91-0) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide
Also Known As: 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide, J3.473.428C, N,N-Dimethyl-m-methoxy-p-hydroxybenzothioamide, 4-hydroxy-3-methoxy-N,N-dimethylbenzothioamide, 4-hydroxy-3-methoxy-N,N-dimethylbenzene-1-carbothioamide
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.6379 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 349.97528 |
Chemical Identifiers
| CAS Number | 52777-91-0 |
|---|---|
| SMILES | CN(C)C(=S)C1=CC(=C(C=C1)O)OC |
Product Overview
4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide (CAS 52777-91-0), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide.
Chemical Property Profile of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide
Property Insights of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide
The XLogP value of 1.6379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 32.7 Ų, 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide 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-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide?
The CAS number of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide is 52777-91-0.
What is the molecular formula of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide?
The molecular formula of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide is C10H13NO2S.
What is the molecular weight of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide?
The molecular weight of 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide is 211.07 g/mol.
Where can I buy 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide?
You can request a quote for 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3-methoxy-N,N-dimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.