EINECS 258-259-2
TL;DR: EINECS 258-259-2 (CAS 52927-74-9) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)propanedinitrile
Also Known As: (3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ylidene)propanedinitrile, trans-(+/-)-(3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-ylidene)malononitrile, 2-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)propanedinitrile, trans-(1)-(3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-ylidene)malononitrile, EINECS 258-259-2
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 52927-74-9 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1=C(C#N)C#N)OC)OC |
| InChIKey | QBYYWAACEVWMKS-UHFFFAOYSA-N |
Product Overview
EINECS 258-259-2 (CAS 52927-74-9), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 2-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)propanedinitrile.
Chemical Property Profile of EINECS 258-259-2
Property Insights of EINECS 258-259-2
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 258-259-2. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-259-2. Following Lipinski's Rule of Five, EINECS 258-259-2 has 0 hydrogen bond donor(s) and 5 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 EINECS 258-259-2?
The CAS number of EINECS 258-259-2 is 52927-74-9.
What is the molecular formula of EINECS 258-259-2?
The molecular formula of EINECS 258-259-2 is C20H23N3O2.
What is the molecular weight of EINECS 258-259-2?
The molecular weight of EINECS 258-259-2 is 337.18 g/mol.
Where can I buy EINECS 258-259-2?
You can request a quote for EINECS 258-259-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-259-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-259-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.