![2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile structure](/static/products/900/900894-67-9.png)
2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
TL;DR: 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 900894-67-9) is a chemical compound with molecular formula C30H27N3O4 and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-9,10-dimethoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile
Also Known As: 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile, 2-[4-(benzyloxy)-3-methoxyphenyl]-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile, 4-imino-9,10-dimethoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile
| Molecular Formula | C30H27N3O4 |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 5.33415 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.20016 |
| Heavy Atoms | 37 |
| Complexity | 1568.986 |
Chemical Identifiers
| CAS Number | 900894-67-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OC |
Product Overview
2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 900894-67-9), with molecular formula C30H27N3O4 and molecular weight 493.20 g/mol. IUPAC: 4-imino-9,10-dimethoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile.
Chemical Property Profile of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Property Insights of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
The XLogP value of 5.33415 indicates that 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The CAS number of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is 900894-67-9.
What is the molecular formula of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular formula of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is C30H27N3O4.
What is the molecular weight of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular weight of 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is 493.20 g/mol.
Where can I buy 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
You can request a quote for 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(benzyloxy)-3-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.