2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-
TL;DR: 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- (CAS 17929-31-6) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one
Also Known As: Pirolidynometylo-5-chloro-benzoksazolon-2, Pirolidynometylo-5-chloro-benzoksazolon-2 [Polish], 2(3H)-BENZOXAZOLONE, 5-CHLORO-3-(1-PYRROLIDINYLMETHYL)-, 5-Chloro-3-(1-pyrrolidinylmethyl)-2(3H)-benzoxazolone, 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one
Technical Specifications
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.06656 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06656 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | C1CCN(C1)CN2C3=C(C=CC(=C3)Cl)OC2=O |
| InChIKey | QDIJKTNDTUWSER-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-
Property Insights of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-. With a topological polar surface area (TPSA) of 32.8 Ų, 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- 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
What is the CAS number of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-?
The CAS number of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- is 17929-31-6.
What is the molecular formula of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- is C12H13ClN2O2.
What is the molecular weight of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- is 252.06656 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.