3-Piperidinomethyl-5-chlorobenzoxazolin-2-one
TL;DR: 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one (CAS 16376-55-9) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
Also Known As: 3-Pmcbo, 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one, TimTec1_008083, BAS 08138396, 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 16376-55-9 |
|---|---|
| SMILES | C1CCN(CC1)CN2C3=C(C=CC(=C3)Cl)OC2=O |
| InChIKey | VGVOSAQBSIETLT-UHFFFAOYSA-N |
Product Overview
3-Piperidinomethyl-5-chlorobenzoxazolin-2-one (CAS 16376-55-9), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one
Property Insights of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one. With a topological polar surface area (TPSA) of 32.8 Ų, 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one has 0 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 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one?
The CAS number of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one is 16376-55-9.
What is the molecular formula of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one?
The molecular formula of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one is C13H15ClN2O2.
What is the molecular weight of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one?
The molecular weight of 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one is 266.08 g/mol.
Where can I buy 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one?
You can request a quote for 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.