6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one (CAS 19747-18-3) is a chemical compound with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2-one
Also Known As: 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2-one, 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one, 6-chloro-3-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C10H7Cl2NO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 2.517 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.9803 |
| Heavy Atoms | 16 |
| Complexity | 599.62024 |
Chemical Identifiers
| CAS Number | 19747-18-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC(=O)N2C(=O)CCCl |
Product Overview
6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one (CAS 19747-18-3), with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol. IUPAC: 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 52.21 Ų, 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-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 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one is 19747-18-3.
What is the molecular formula of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one is C10H7Cl2NO3.
What is the molecular weight of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one is 258.98 g/mol.
Where can I buy 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(3-chloropropanoyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.