3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine
TL;DR: 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine (CAS 102873-10-9) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-7-nitro-2,4-dihydro-1,4-benzoxazin-5-amine
Also Known As: 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine, 3,3-dimethyl-7-nitro-2,4-dihydro-1,4-benzoxazin-5-amine, 3,3-Dimethyl-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-5-amine
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 1.7599 |
| Topological Polar Surface Area | 90.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 456.86765 |
Chemical Identifiers
| CAS Number | 102873-10-9 |
|---|---|
| SMILES | CC1(COC2=CC(=CC(=C2N1)N)[N+](=O)[O-])C |
Product Overview
3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine (CAS 102873-10-9), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: 3,3-dimethyl-7-nitro-2,4-dihydro-1,4-benzoxazin-5-amine.
Chemical Property Profile of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine
Property Insights of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine
The XLogP value of 1.7599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine. The TPSA of 90.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine. Following Lipinski's Rule of Five, 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine has 2 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 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine?
The CAS number of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine is 102873-10-9.
What is the molecular formula of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine?
The molecular formula of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine is C10H13N3O3.
What is the molecular weight of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine?
The molecular weight of 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine is 223.10 g/mol.
Where can I buy 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine?
You can request a quote for 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.