4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione
TL;DR: 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione (CAS 37760-77-3) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methyl-4H-1,3-benzoxazine-2-thione
Also Known As: 4-hydroxy-3-methyl-4H-1,3-benzoxazine-2-thione, 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione, 4-hydroxy-3-methyl-3,4-dihydro-benzo[e][1,3]oxazine-2-thione, 10-hydroxy-9-methyl-7-oxa-9-azabicyclo[4.4.0]deca-1,3,5-triene-8-thione
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.2866 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 353.22287 |
Chemical Identifiers
| CAS Number | 37760-77-3 |
|---|---|
| SMILES | CN1C(C2=CC=CC=C2OC1=S)O |
Product Overview
4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione (CAS 37760-77-3), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 4-hydroxy-3-methyl-4H-1,3-benzoxazine-2-thione.
Chemical Property Profile of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione
Property Insights of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione
The XLogP value of 1.2866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione. With a topological polar surface area (TPSA) of 32.7 Ų, 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione 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-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione?
The CAS number of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione is 37760-77-3.
What is the molecular formula of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione?
The molecular formula of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione is C9H9NO2S.
What is the molecular weight of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione?
The molecular weight of 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione is 195.04 g/mol.
Where can I buy 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione?
You can request a quote for 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione 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-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.