ChemDiv2_004706
TL;DR: ChemDiv2_004706 (CAS 780777-83-5) is a chemical compound with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-amino-11-(4-methoxyphenyl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
Also Known As: ChemDiv2_004706, BAS 07249020, IDI1_003421, 2-amino-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-8,10-dimethyl-7-oxo-4,7-dihydrofuro[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
| Molecular Formula | C22H18N2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 3.63662 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.12665 |
| Heavy Atoms | 28 |
| Complexity | 1230.602 |
Chemical Identifiers
| CAS Number | 780777-83-5 |
|---|---|
| SMILES | CC1=C2C(=O)C=CC3=C(C2=C(O1)C)OC(=C(C3C4=CC=C(C=C4)OC)C#N)N |
Product Overview
ChemDiv2_004706 (CAS 780777-83-5), with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol. IUPAC: 13-amino-11-(4-methoxyphenyl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile.
Chemical Property Profile of ChemDiv2_004706
Property Insights of ChemDiv2_004706
The XLogP value of 3.63662 indicates that ChemDiv2_004706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004706. Following Lipinski's Rule of Five, ChemDiv2_004706 has 1 hydrogen bond donor(s) and 6 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 ChemDiv2_004706?
The CAS number of ChemDiv2_004706 is 780777-83-5.
What is the molecular formula of ChemDiv2_004706?
The molecular formula of ChemDiv2_004706 is C22H18N2O4.
What is the molecular weight of ChemDiv2_004706?
The molecular weight of ChemDiv2_004706 is 374.13 g/mol.
Where can I buy ChemDiv2_004706?
You can request a quote for ChemDiv2_004706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004706?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.