11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine
TL;DR: 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine (CAS 98234-94-7) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,15-dioxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,8,10,12(16)-hexaene
Also Known As: 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine, 2H,11H-[1,3]Dioxolo[4,5-h]imidazo[2,1-c][1,4]benzodiazepine, RefChem:236235
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.7241 |
| Topological Polar Surface Area | 48.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 630.67615 |
Chemical Identifiers
| CAS Number | 98234-94-7 |
|---|---|
| SMILES | C1C2=CC3=C(C=C2N=CC4=NC=CN41)OCO3 |
Product Overview
11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine (CAS 98234-94-7), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 13,15-dioxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,8,10,12(16)-hexaene.
Chemical Property Profile of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine
Property Insights of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine
The XLogP value of 1.7241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine. With a topological polar surface area (TPSA) of 48.64 Ų, 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine has 0 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 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine?
The CAS number of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine is 98234-94-7.
What is the molecular formula of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine?
The molecular formula of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine is C12H9N3O2.
What is the molecular weight of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine?
The molecular weight of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine is 227.07 g/mol.
Where can I buy 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine?
You can request a quote for 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.