6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
TL;DR: 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (CAS 787634-60-0) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
Also Known As: NBDHEX, NBDHEX compound, 3gus, 3ie3, 6-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)sulfanyl]hexan-1-Ol
| Molecular Formula | C12H15N3O4S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 2.7758 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.07834 |
| Heavy Atoms | 20 |
| Complexity | 587.0862 |
Chemical Identifiers
| CAS Number | 787634-60-0 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-] |
Product Overview
6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (CAS 787634-60-0), with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol. IUPAC: 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol.
Chemical Property Profile of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
Property Insights of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
The XLogP value of 2.7758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol. Following Lipinski's Rule of Five, 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol has 1 hydrogen bond donor(s) and 7 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 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol?
The CAS number of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol is 787634-60-0.
What is the molecular formula of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol?
The molecular formula of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol is C12H15N3O4S.
What is the molecular weight of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol?
The molecular weight of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol is 297.08 g/mol.
Where can I buy 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol?
You can request a quote for 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol?
Yes, KEHONG BIO provides custom synthesis services for 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.