RefChem:1065129
TL;DR: RefChem:1065129 (CAS 123172-61-2) is a chemical compound with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
Also Known As: (E)-7-(3-(4-Chlorophenyl)-1-oxo-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-2,2,4-trimethyl-, (E)-, 7-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one, RefChem:1065129, BRN 5984274
| Molecular Formula | C20H18ClNO3 |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 4.3699 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09753 |
| Heavy Atoms | 25 |
| Complexity | 869.0101 |
Chemical Identifiers
| CAS Number | 123172-61-2 |
|---|---|
| SMILES | CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)C)C |
Product Overview
RefChem:1065129 (CAS 123172-61-2), with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol. IUPAC: 7-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of RefChem:1065129
Property Insights of RefChem:1065129
The XLogP value of 4.3699 indicates that RefChem:1065129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, RefChem:1065129 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065129 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 RefChem:1065129?
The CAS number of RefChem:1065129 is 123172-61-2.
What is the molecular formula of RefChem:1065129?
The molecular formula of RefChem:1065129 is C20H18ClNO3.
What is the molecular weight of RefChem:1065129?
The molecular weight of RefChem:1065129 is 355.10 g/mol.
Where can I buy RefChem:1065129?
You can request a quote for RefChem:1065129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.