CTK3E9377
TL;DR: CTK3E9377 (CAS 80287-16-7) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Also Known As: Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-alpha-(hydroxymethyl)-, methyl ester, (alphaS,2R,3Z,12bS)-
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 80287-16-7 |
|---|---|
| SMILES | CC=C1CN2CCC3=C([C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC)NC4=CC=CC=C34 |
| InChIKey | RGXKJLTVROJBKZ-SCTDSRPQSA-N |
Product Overview
CTK3E9377 (CAS 80287-16-7), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (2S)-2-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate.
Chemical Property Profile of CTK3E9377
Property Insights of CTK3E9377
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E9377. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E9377. Following Lipinski's Rule of Five, CTK3E9377 has 2 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 CTK3E9377?
The CAS number of CTK3E9377 is 80287-16-7.
What is the molecular formula of CTK3E9377?
The molecular formula of CTK3E9377 is C21H26N2O3.
What is the molecular weight of CTK3E9377?
The molecular weight of CTK3E9377 is 354.19 g/mol.
Where can I buy CTK3E9377?
You can request a quote for CTK3E9377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9377?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.