4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
TL;DR: 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 851168-96-2) is a chemical compound with molecular formula C22H14ClNO5 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-chloro-2,1-benzoxazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Also Known As: 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate, [4-(5-chloro-2,1-benzoxazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
| Molecular Formula | C22H14ClNO5 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 5.1386 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.05606 |
| Heavy Atoms | 29 |
| Complexity | 1215.8401 |
Chemical Identifiers
| CAS Number | 851168-96-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=C5C=C(C=CC5=NO4)Cl |
Product Overview
4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 851168-96-2), with molecular formula C22H14ClNO5 and molecular weight 407.06 g/mol. IUPAC: [4-(5-chloro-2,1-benzoxazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
Chemical Property Profile of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Property Insights of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
The XLogP value of 5.1386 indicates that 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. Following Lipinski's Rule of Five, 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The CAS number of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 851168-96-2.
What is the molecular formula of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular formula of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is C22H14ClNO5.
What is the molecular weight of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular weight of 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 407.06 g/mol.
Where can I buy 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
You can request a quote for 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-chloro-2,1-benzoxazol-3-yl)phenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.