2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- (CAS 52042-29-2) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydroxypropyl)-2,6-dimethyl-1,4-benzoxazin-3-one
Also Known As: 4-(2,3-Dihydroxypropyl)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-, 2-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-1,4-benzoxazin-3-one, BRN 1219671
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.46212 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 460.3045 |
Chemical Identifiers
| CAS Number | 52042-29-2 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(CO)O |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- (CAS 52042-29-2), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 4-(2,3-dihydroxypropyl)-2,6-dimethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-
The XLogP value of 0.46212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- has 2 hydrogen bond donor(s) and 4 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, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- is 52042-29-2.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- is C13H17NO4.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- is 251.12 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- 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, 4-(2,3-dihydroxypropyl)-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.