5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one
TL;DR: 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one (CAS 80688-55-7) is a chemical compound with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one
Also Known As: 5-chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one, 5-Chloro-2-[(morpholin-4-yl)methyl]-1,2-benzoxazol-3(2H)-one
| Molecular Formula | C12H13ClN2O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06146 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 80688-55-7 |
|---|---|
| SMILES | C1COCCN1CN2C(=O)C3=C(O2)C=CC(=C3)Cl |
| InChIKey | BCCJPDCDLILCQB-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one (CAS 80688-55-7), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: 5-chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one.
Chemical Property Profile of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one
Property Insights of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one. With a topological polar surface area (TPSA) of 42.0 Ų, 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one has 0 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 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one?
The CAS number of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one is 80688-55-7.
What is the molecular formula of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one?
The molecular formula of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one is C12H13ClN2O3.
What is the molecular weight of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one?
The molecular weight of 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one is 268.06 g/mol.
Where can I buy 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one?
You can request a quote for 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(morpholin-4-ylmethyl)-1,2-benzoxazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.