2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)
TL;DR: 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) (CAS 22253-34-5) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1,3-benzoxazol-3-yl)propyl carbamate
Also Known As: 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester), 3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propyl carbamate, 3-(3-Hydroxypropyl)-2-benzoxazolinone carbamate (ester), 3-(2-oxo-1,3-benzoxazol-3-yl)propyl carbamate, 3-(2-Oxobenzo[d]oxazol-3(2H)-yl)propyl carbamate
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 22253-34-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CCCOC(=O)N |
| InChIKey | VODSBZGECUUVAS-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) (CAS 22253-34-5), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 3-(2-oxo-1,3-benzoxazol-3-yl)propyl carbamate.
Chemical Property Profile of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)
Property Insights of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester). The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester). Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) has 1 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 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)?
The CAS number of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) is 22253-34-5.
What is the molecular formula of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)?
The molecular formula of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) is C11H12N2O4.
What is the molecular weight of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)?
The molecular weight of 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) is 236.08 g/mol.
Where can I buy 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)?
You can request a quote for 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-(3-hydroxypropyl)-, carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.