DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine
TL;DR: DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine (CAS 25685-29-4) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-nitro-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Also Known As: KST-1A3683, DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine, 1,1-difluoroethene - tetrafluoroethene (1:1), 6-methyl-8-nitro-3,4-dihydro-2H-1,5-benzoxazocin-3-ol, (+-)-3,4-Dihydro-6-methyl-8-nitro-2H-1,5-benzoxazocin-3-ol
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 25685-29-4 |
|---|---|
| SMILES | CC1=NCC(COC2=C1C=C(C=C2)[N+](=O)[O-])O |
| InChIKey | KCIIXGWTJDQYAG-UHFFFAOYSA-N |
Product Overview
DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine (CAS 25685-29-4), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 6-methyl-8-nitro-3,4-dihydro-2H-1,5-benzoxazocin-3-ol.
Chemical Property Profile of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine
Property Insights of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine. Following Lipinski's Rule of Five, DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine has 1 hydrogen bond donor(s) and 5 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 DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine?
The CAS number of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine is 25685-29-4.
What is the molecular formula of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine?
The molecular formula of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine is C11H12N2O4.
What is the molecular weight of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine?
The molecular weight of DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine is 236.08 g/mol.
Where can I buy DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine?
You can request a quote for DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine?
Yes, KEHONG BIO provides custom synthesis services for DL-3-Hydroxy-6-methyl-8-nitro-3,4-dihydro-1,5-benzoxazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.