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6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one
TL;DR: 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one (CAS 54569-54-9) 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.
6-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
Also Known As: F0918-0029, 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one, 6-chloro-3-(morpholin-4-ylmethyl)benzooxazol-2-one, 6-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one, 6-chloro-3-(morpholinomethyl)-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C12H13ClN2O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 1.5376 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06146 |
| Heavy Atoms | 18 |
| Complexity | 613.3003 |
Chemical Identifiers
| CAS Number | 54569-54-9 |
|---|---|
| SMILES | C1COCCN1CN2C3=C(C=C(C=C3)Cl)OC2=O |
Product Overview
6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one (CAS 54569-54-9), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: 6-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one
Property Insights of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one
The XLogP value of 1.5376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one. With a topological polar surface area (TPSA) of 47.61 Ų, 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-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 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one?
The CAS number of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one is 54569-54-9.
What is the molecular formula of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one?
The molecular formula of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one is C12H13ClN2O3.
What is the molecular weight of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one?
The molecular weight of 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one is 268.06 g/mol.
Where can I buy 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one?
You can request a quote for 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one 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-(morpholinomethyl)benzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(morpholinomethyl)benzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.