2-Benzoxazolinone, 5-chloro-6-methoxy-
TL;DR: 2-Benzoxazolinone, 5-chloro-6-methoxy- (CAS 1750-47-6) 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-6-methoxy-3H-1,3-benzoxazol-2-one
Also Known As: 5-Chloro-6-methoxy-2-benzoxazolinone, 5-chloro-6-methoxy-3H-1,3-benzoxazol-2-one, 2-BENZOXAZOLINONE, 5-CHLORO-6-METHOXY-, 5-Chloro-6-methoxy-2,3-dihydrobenzoxazole-2-one, 2(3H)-Benzoxazolone, 5-chloro-6-methoxy-
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.6 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 | 1750-47-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)OC(=O)N2)Cl |
| InChIKey | QQQYQWNSMUHSCK-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolinone, 5-chloro-6-methoxy- (CAS 1750-47-6), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 5-chloro-6-methoxy-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5-chloro-6-methoxy-
Property Insights of 2-Benzoxazolinone, 5-chloro-6-methoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5-chloro-6-methoxy-. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Benzoxazolinone, 5-chloro-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5-chloro-6-methoxy- 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-6-methoxy-?
The CAS number of 2-Benzoxazolinone, 5-chloro-6-methoxy- is 1750-47-6.
What is the molecular formula of 2-Benzoxazolinone, 5-chloro-6-methoxy-?
The molecular formula of 2-Benzoxazolinone, 5-chloro-6-methoxy- is C8H6ClNO3.
What is the molecular weight of 2-Benzoxazolinone, 5-chloro-6-methoxy-?
The molecular weight of 2-Benzoxazolinone, 5-chloro-6-methoxy- is 199.00 g/mol.
Where can I buy 2-Benzoxazolinone, 5-chloro-6-methoxy-?
You can request a quote for 2-Benzoxazolinone, 5-chloro-6-methoxy- 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-6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5-chloro-6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.