C19H16ClNO3
TL;DR: C19H16ClNO3 (CAS 459789-66-3) is a chemical compound with molecular formula C19H16ClNO3 and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-(6-oxo-3-tricyclo[6.2.2.02,7]dodeca-4,9-dienylidene)amino] 4-chlorobenzoate
Also Known As: (1R,4S,4aS,8aR,Z)-8-(((4-chlorobenzoyl)oxy)imino)-4,4a,8,8a-tetrahydro-1,4-ethanonaphthalen-5(1H)-one
| Molecular Formula | C19H16ClNO3 |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.8201 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.08188 |
| Heavy Atoms | 24 |
| Complexity | 778.3066 |
Chemical Identifiers
| CAS Number | 459789-66-3 |
|---|---|
| SMILES | C1CC2C=CC1C\3C2C(=O)C=C/C3=N/OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
C19H16ClNO3 (CAS 459789-66-3), with molecular formula C19H16ClNO3 and molecular weight 341.08 g/mol. IUPAC: [(Z)-(6-oxo-3-tricyclo[6.2.2.02,7]dodeca-4,9-dienylidene)amino] 4-chlorobenzoate.
Chemical Property Profile of C19H16ClNO3
Property Insights of C19H16ClNO3
The XLogP value of 3.8201 indicates that C19H16ClNO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, C19H16ClNO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H16ClNO3 has 0 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 C19H16ClNO3?
The CAS number of C19H16ClNO3 is 459789-66-3.
What is the molecular formula of C19H16ClNO3?
The molecular formula of C19H16ClNO3 is C19H16ClNO3.
What is the molecular weight of C19H16ClNO3?
The molecular weight of C19H16ClNO3 is 341.08 g/mol.
Where can I buy C19H16ClNO3?
You can request a quote for C19H16ClNO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H16ClNO3?
Yes, KEHONG BIO provides custom synthesis services for C19H16ClNO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.