2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-
TL;DR: 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- (CAS 17929-34-9) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one
Also Known As: N-(Hydroxymethyl)chlorzoxazone, 2-Benzoxazolinone-3-methanol, 5-chloro-, 2-BENZOXAZOLINONE, 5-CHLORO-3-HYDROXYMETHYL-, 5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone, 5-chloro-3-(hydroxymethyl)-
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 17929-34-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N(C(=O)O2)CO |
| InChIKey | FSCPTWHCVYVMGT-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- (CAS 17929-34-9), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-
Property Insights of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- has 1 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 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-?
The CAS number of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- is 17929-34-9.
What is the molecular formula of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-?
The molecular formula of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- is C8H6ClNO3.
What is the molecular weight of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-?
The molecular weight of 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- is 199.00 g/mol.
Where can I buy 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-?
You can request a quote for 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.