J1.996.713A
TL;DR: J1.996.713A (CAS 128586-13-0) is a chemical compound with molecular formula C28H26N4O2 and molecular weight 450.20557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaen-17-amine
Also Known As: J1.996.713A, N,N-diethyl-7-(4-methoxyphenyl)-7H-benzo[4,5]imidazo[1,2-c]chromeno[3,2-e]pyrimidin-3-amine, N,N-diethyl-7-(4-methoxyphenyl)-7H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-amine, N,N-diethyl-11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaen-17-amine, N,N-Diethyl-7-(4-methoxyphenyl)-7H-[1]benzopyrano[2 ,3 :4,5]pyrimido[1,6-a]benzimidazole-3-amine
Technical Specifications
| Molecular Formula | C28H26N4O2 |
| Molecular Weight | 450.20557 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 51.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.20557 Da |
| Heavy Atoms | 34 |
| Complexity | 787.0 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C3C4=NC5=CC=CC=C5N4C(N=C3O2)C6=CC=C(C=C6)OC |
| InChIKey | ROWRZTDMBSSXIL-UHFFFAOYSA-N |
Chemical Property Profile of J1.996.713A
Property Insights of J1.996.713A
The XLogP value of 5.5 indicates that J1.996.713A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.9 Ų, J1.996.713A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.996.713A has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J1.996.713A?
The CAS number of J1.996.713A is 128586-13-0.
What is the molecular formula of J1.996.713A?
The molecular formula of J1.996.713A is C28H26N4O2.
What is the molecular weight of J1.996.713A?
The molecular weight of J1.996.713A is 450.20557 g/mol.
Where can I buy J1.996.713A?
You can request a quote for J1.996.713A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.996.713A?
Yes, CoreyChem provides custom synthesis services for J1.996.713A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.