6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one (CAS 52041-78-8) is a chemical compound with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one
Also Known As: 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one, 2-Propyl-3-oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-, 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one, BRN 1221695
| Molecular Formula | C14H18ClNO4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 1.5873 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.09244 |
| Heavy Atoms | 20 |
| Complexity | 494.0623 |
Chemical Identifiers
| CAS Number | 52041-78-8 |
|---|---|
| SMILES | CCCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O |
Product Overview
6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one (CAS 52041-78-8), with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol. IUPAC: 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.5873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one 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 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one is 52041-78-8.
What is the molecular formula of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one is C14H18ClNO4.
What is the molecular weight of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one is 299.09 g/mol.
Where can I buy 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-Chloro-4-(2,3-dihydroxypropyl)-2-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 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-(2,3-dihydroxypropyl)-2-propyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.