J1.630.616I
TL;DR: J1.630.616I (CAS 77478-12-7) is a chemical compound with molecular formula C28H16N4O2 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(dicyanomethylidene)-10,13-dimethoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaenylidene]propanedinitrile
Also Known As: J1.630.616I, Propanedinitrile, 2,2'-(9,10-dihydro-5,8-dimethoxy-9,10[1',2, 2,2 -[2,3-[(1,4-Dimethoxy-9,10-dihydroanthracene)-9,10-diyl]-2,5-cyclohexadiene-1,4-diylidene]bis(malononitrile), 2-[6-(dicyanomethylidene)-16,19-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15(20),16,18-octaen-3-ylidene]propanedinitrile
| Molecular Formula | C28H16N4O2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 3.08672 |
| Topological Polar Surface Area | 113.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.12732 |
| Heavy Atoms | 34 |
| Complexity | 1533.7819 |
Chemical Identifiers
| CAS Number | 77478-12-7 |
|---|---|
| SMILES | COC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)OC)C5=C3C(=C(C#N)C#N)C=CC5=C(C#N)C#N |
Product Overview
J1.630.616I (CAS 77478-12-7), with molecular formula C28H16N4O2 and molecular weight 440.13 g/mol. IUPAC: 2-[6-(dicyanomethylidene)-10,13-dimethoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaenylidene]propanedinitrile.
Chemical Property Profile of J1.630.616I
Property Insights of J1.630.616I
The XLogP value of 3.08672 indicates that J1.630.616I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.62 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.630.616I. Following Lipinski's Rule of Five, J1.630.616I has 0 hydrogen bond donor(s) and 6 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 J1.630.616I?
The CAS number of J1.630.616I is 77478-12-7.
What is the molecular formula of J1.630.616I?
The molecular formula of J1.630.616I is C28H16N4O2.
What is the molecular weight of J1.630.616I?
The molecular weight of J1.630.616I is 440.13 g/mol.
Where can I buy J1.630.616I?
You can request a quote for J1.630.616I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.630.616I?
Yes, KEHONG BIO provides custom synthesis services for J1.630.616I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.