ChemDiv3_003950
TL;DR: ChemDiv3_003950 (CAS 172985-18-1) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-8-ethyl-12,12-dimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-phenylmethanone
Also Known As: ChemDiv3_003950, Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-, IDI1_021860, BAS 04879398, BRD-K22322324-001-01-4
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.0547 |
| Topological Polar Surface Area | 78.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 1003.26324 |
Chemical Identifiers
| CAS Number | 172985-18-1 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1COC(C3)(C)C)C(=C(O2)C(=O)C4=CC=CC=C4)N |
Product Overview
ChemDiv3_003950 (CAS 172985-18-1), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (3-amino-8-ethyl-12,12-dimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-phenylmethanone.
Chemical Property Profile of ChemDiv3_003950
Property Insights of ChemDiv3_003950
The XLogP value of 4.0547 indicates that ChemDiv3_003950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003950. Following Lipinski's Rule of Five, ChemDiv3_003950 has 1 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 ChemDiv3_003950?
The CAS number of ChemDiv3_003950 is 172985-18-1.
What is the molecular formula of ChemDiv3_003950?
The molecular formula of ChemDiv3_003950 is C21H22N2O3.
What is the molecular weight of ChemDiv3_003950?
The molecular weight of ChemDiv3_003950 is 350.16 g/mol.
Where can I buy ChemDiv3_003950?
You can request a quote for ChemDiv3_003950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.