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6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone
TL;DR: 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone (CAS 54569-31-2) is a chemical compound with molecular formula C14H11ClN2O2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-6-chloro-1,3-benzoxazol-2-one
Also Known As: 3-(anilinomethyl)-6-chloro-1,3-benzoxazol-2-one, 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone, 3-(Anilinomethyl)-6-chloro-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C14H11ClN2O2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 3.3175 |
| Topological Polar Surface Area | 47.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0509 |
| Heavy Atoms | 19 |
| Complexity | 761.96204 |
Chemical Identifiers
| CAS Number | 54569-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=C(C=C(C=C3)Cl)OC2=O |
Product Overview
6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone (CAS 54569-31-2), with molecular formula C14H11ClN2O2 and molecular weight 274.05 g/mol. IUPAC: 3-(anilinomethyl)-6-chloro-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone
Property Insights of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone
The XLogP value of 3.3175 indicates that 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.17 Ų, 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone has 1 hydrogen bond donor(s) and 3 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-3-[(phenylamino)methyl]-2(3H)-benzoxazolone?
The CAS number of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone is 54569-31-2.
What is the molecular formula of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone?
The molecular formula of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone is C14H11ClN2O2.
What is the molecular weight of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone?
The molecular weight of 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone is 274.05 g/mol.
Where can I buy 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone?
You can request a quote for 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-[(phenylamino)methyl]-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.