C20H22N2O3
TL;DR: C20H22N2O3 (CAS 1435993-99-9) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-11-[2-(4-methoxyphenyl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: BAS 13121855, (1R,5S)-3-(2-(4-methoxyphenyl)-2-oxoethyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.1589 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 840.76495 |
Chemical Identifiers
| CAS Number | 1435993-99-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CN2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
Product Overview
C20H22N2O3 (CAS 1435993-99-9), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: (1S,9R)-11-[2-(4-methoxyphenyl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of C20H22N2O3
Property Insights of C20H22N2O3
The XLogP value of 2.1589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22N2O3. With a topological polar surface area (TPSA) of 51.54 Ų, C20H22N2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22N2O3 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 C20H22N2O3?
The CAS number of C20H22N2O3 is 1435993-99-9.
What is the molecular formula of C20H22N2O3?
The molecular formula of C20H22N2O3 is C20H22N2O3.
What is the molecular weight of C20H22N2O3?
The molecular weight of C20H22N2O3 is 338.16 g/mol.
Where can I buy C20H22N2O3?
You can request a quote for C20H22N2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22N2O3?
Yes, KEHONG BIO provides custom synthesis services for C20H22N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.