Zimet 54-79
TL;DR: Zimet 54-79 (CAS 88216-77-7) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepine
Also Known As: Zimet 5479, Zimet 54-79, Zimet 55-79, KST-1A8704, (1)Benzopyrano(4,3-b)(1,5)benzodiazepine, 6,6a,7,8,13,13a-hexahydro-3,4-dimethoxy-10,11-dimethyl-
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 88216-77-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC3C(CN2)COC4=C3C=CC(=C4OC)OC |
| InChIKey | KWCFJUVXOFJENX-UHFFFAOYSA-N |
Product Overview
Zimet 54-79 (CAS 88216-77-7), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: 3,4-dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepine.
Chemical Property Profile of Zimet 54-79
Property Insights of Zimet 54-79
The XLogP value of 3.9 indicates that Zimet 54-79 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Zimet 54-79 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zimet 54-79 has 2 hydrogen bond donor(s) and 5 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 Zimet 54-79?
The CAS number of Zimet 54-79 is 88216-77-7.
What is the molecular formula of Zimet 54-79?
The molecular formula of Zimet 54-79 is C20H24N2O3.
What is the molecular weight of Zimet 54-79?
The molecular weight of Zimet 54-79 is 340.18 g/mol.
Where can I buy Zimet 54-79?
You can request a quote for Zimet 54-79 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zimet 54-79?
Yes, KEHONG BIO provides custom synthesis services for Zimet 54-79 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.