RefChem:1065106
TL;DR: RefChem:1065106 (CAS 52042-36-1) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 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-prop-2-enyl-1,4-benzoxazin-3-one
Also Known As: 2-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-allyl-8-methoxy-2,3-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-(2-peopwnyl)-, 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-(2-propenyl)-2H-1,4-benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-prop-2-enyl-1,4-benzoxazin-3-one, 4-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-(prop-2-en-1-yl)-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 0.8908 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 571.8997 |
Chemical Identifiers
| CAS Number | 52042-36-1 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C(=CC(=C2)CC=C)OC)CC(CO)O |
Product Overview
RefChem:1065106 (CAS 52042-36-1), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-prop-2-enyl-1,4-benzoxazin-3-one.
Chemical Property Profile of RefChem:1065106
Property Insights of RefChem:1065106
The XLogP value of 0.8908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065106. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065106. Following Lipinski's Rule of Five, RefChem:1065106 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 RefChem:1065106?
The CAS number of RefChem:1065106 is 52042-36-1.
What is the molecular formula of RefChem:1065106?
The molecular formula of RefChem:1065106 is C16H21NO5.
What is the molecular weight of RefChem:1065106?
The molecular weight of RefChem:1065106 is 307.14 g/mol.
Where can I buy RefChem:1065106?
You can request a quote for RefChem:1065106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065106?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.