![4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate structure](/static/products/590/590396-75-1.png)
4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate
TL;DR: 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate (CAS 590396-75-1) is a chemical compound with molecular formula C21H14Cl2N2O4 and molecular weight 428.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate
Also Known As: 4-chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate, (4-chlorophenyl)methyl N-[(4Z)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamate, (4-chlorophenyl)methyl N-[4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamate, Carbamic acid, [4-(5-chloro-2-benzoxazolyl)-3-hydroxyphenyl]-, (4-chlorophenyl)methyl ester (9CI)
| Molecular Formula | C21H14Cl2N2O4 |
|---|---|
| Molecular Weight | 428.03 g/mol |
| LogP | 6.2559 |
| Topological Polar Surface Area | 84.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.03305 |
| Heavy Atoms | 29 |
| Complexity | 1189.2382 |
Chemical Identifiers
| CAS Number | 590396-75-1 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)NC2=CC(=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)O)Cl |
Product Overview
4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate (CAS 590396-75-1), with molecular formula C21H14Cl2N2O4 and molecular weight 428.03 g/mol. IUPAC: (4-chlorophenyl)methyl N-[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate.
Chemical Property Profile of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate
Property Insights of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate
The XLogP value of 6.2559 indicates that 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate. Following Lipinski's Rule of Five, 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate?
The CAS number of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate is 590396-75-1.
What is the molecular formula of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate?
The molecular formula of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate is C21H14Cl2N2O4.
What is the molecular weight of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate?
The molecular weight of 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate is 428.03 g/mol.
Where can I buy 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate?
You can request a quote for 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl [4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.