2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-37-2) is a chemical compound with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one
Also Known As: 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one, 2-Butyl-3-oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine, 2H-1,4-Benzoxazin-3(4H)-one, 2-butyl-6-chloro-4-(2,3-dihydroxypropyl)-, 2-butyl-6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one, BRN 1222762
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.9774 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1081 |
| Heavy Atoms | 21 |
| Complexity | 508.44702 |
Chemical Identifiers
| CAS Number | 52042-37-2 |
|---|---|
| SMILES | CCCCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O |
Product Overview
2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 52042-37-2), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: 2-butyl-6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.9774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-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 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is 52042-37-2.
What is the molecular formula of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is C15H20ClNO4.
What is the molecular weight of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one is 313.11 g/mol.
Where can I buy 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-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 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.