4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-30-5) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-1,4-benzoxazin-3-one
Also Known As: 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one, 2-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-propyl-8-methoxy-2,3-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-1,4-benzoxazin-3-one, BRN 1015926
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 1.1148 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 545.5829 |
Chemical Identifiers
| CAS Number | 52042-30-5 |
|---|---|
| SMILES | CCCC1=CC2=C(C(=C1)OC)OC(C(=O)N2CC(CO)O)C |
Product Overview
4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-30-5), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.1148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one 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 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one is 52042-30-5.
What is the molecular formula of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one is C16H23NO5.
What is the molecular weight of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one is 309.16 g/mol.
Where can I buy 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.