3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine
TL;DR: 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine (CAS 245072-52-0) is a chemical compound with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-imine
Also Known As: ChemDiv3_000607, 3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-imine, 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine, BRD-K67808578-001-01-1, 3-(1H-benzimidazol-2-yl)-6-methoxy-2H-chromen-2-imine
| Molecular Formula | C17H13N3O2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10077 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 245072-52-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=N)C(=C2)C3=NC4=CC=CC=C4N3 |
| InChIKey | CGPDLANLOXPJHX-UHFFFAOYSA-N |
Product Overview
3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine (CAS 245072-52-0), with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-imine.
Chemical Property Profile of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine
Property Insights of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine
The XLogP value of 3.2 indicates that 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine has 2 hydrogen bond donor(s) and 4 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 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine?
The CAS number of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine is 245072-52-0.
What is the molecular formula of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine?
The molecular formula of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine is C17H13N3O2.
What is the molecular weight of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine?
The molecular weight of 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine is 291.10 g/mol.
Where can I buy 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine?
You can request a quote for 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.