![7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one structure](/static/products/313/313071-97-5.png)
7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
TL;DR: 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one (CAS 313071-97-5) is a chemical compound with molecular formula C11H6BrNO3S and molecular weight 310.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
Also Known As: 7-Bromo-2-mercapto-6-methyl-chromeno[8,7-d]oxazol-8-one, 7-bromo-6-methyl-8H-pyrano[2,3-e]benzoxazol-8-one-2-thione, 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
| Molecular Formula | C11H6BrNO3S |
|---|---|
| Molecular Weight | 310.93 g/mol |
| LogP | 3.66771 |
| Topological Polar Surface Area | 59.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.92517 |
| Heavy Atoms | 17 |
| Complexity | 858.6361 |
Chemical Identifiers
| CAS Number | 313071-97-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC3=C2NC(=S)O3)Br |
Product Overview
7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one (CAS 313071-97-5), with molecular formula C11H6BrNO3S and molecular weight 310.93 g/mol. IUPAC: 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one.
Chemical Property Profile of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
Property Insights of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
The XLogP value of 3.66771 indicates that 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.14 Ų, 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one has 1 hydrogen bond donor(s) and 4 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 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one?
The CAS number of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one is 313071-97-5.
What is the molecular formula of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one?
The molecular formula of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one is C11H6BrNO3S.
What is the molecular weight of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one?
The molecular weight of 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one is 310.93 g/mol.
Where can I buy 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one?
You can request a quote for 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.