2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride (CAS 57462-97-2) is a chemical compound with molecular formula C12H16Cl2N2O4 and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one;hydrochloride
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride, 6-Amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one--hydrogen chloride (1/1), 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one hydrochloride, RefChem:1073803
| Molecular Formula | C12H16Cl2N2O4 |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 0.8111 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0487 |
| Heavy Atoms | 20 |
| Complexity | 512.4758 |
Chemical Identifiers
| CAS Number | 57462-97-2 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C(=CC(=C2)N)Cl)CC(CO)O.Cl |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride (CAS 57462-97-2), with molecular formula C12H16Cl2N2O4 and molecular weight 322.05 g/mol. IUPAC: 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one;hydrochloride.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride
The XLogP value of 0.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride has 3 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 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride is 57462-97-2.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride is C12H16Cl2N2O4.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride is 322.05 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.