![7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine structure](/static/products/846/846596-98-3.png)
7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
TL;DR: 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine (CAS 846596-98-3) is a chemical compound with molecular formula C29H27N5O3 and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3,4-dimethoxyphenyl)-14-(3-imidazol-1-ylpropyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine
Also Known As: 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine, 9-(3-(1H-imidazol-1-yl)propyl)-7-(3,4-dimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-8(9H)-imine
| Molecular Formula | C29H27N5O3 |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 5.10567 |
| Topological Polar Surface Area | 87.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.2114 |
| Heavy Atoms | 37 |
| Complexity | 1642.0076 |
Chemical Identifiers
| CAS Number | 846596-98-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCN6C=CN=C6)OC |
Product Overview
7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine (CAS 846596-98-3), with molecular formula C29H27N5O3 and molecular weight 493.21 g/mol. IUPAC: 11-(3,4-dimethoxyphenyl)-14-(3-imidazol-1-ylpropyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine.
Chemical Property Profile of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
Property Insights of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
The XLogP value of 5.10567 indicates that 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine. Following Lipinski's Rule of Five, 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine 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 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine?
The CAS number of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine is 846596-98-3.
What is the molecular formula of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine?
The molecular formula of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine is C29H27N5O3.
What is the molecular weight of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine?
The molecular weight of 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine is 493.21 g/mol.
Where can I buy 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine?
You can request a quote for 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine?
Yes, KEHONG BIO provides custom synthesis services for 7-(3,4-dimethoxyphenyl)-9-[3-(1H-imidazol-1-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.