ChemDiv1_012292
TL;DR: ChemDiv1_012292 (CAS 421584-79-4) is a chemical compound with molecular formula C22H17BrN4O5 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: ChemDiv1_012292, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A2523/0107245, 6-Amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C22H17BrN4O5 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 3.89038 |
| Topological Polar Surface Area | 135.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.03824 |
| Heavy Atoms | 32 |
| Complexity | 1310.3805 |
Chemical Identifiers
| CAS Number | 421584-79-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)Br)O |
Product Overview
ChemDiv1_012292 (CAS 421584-79-4), with molecular formula C22H17BrN4O5 and molecular weight 496.04 g/mol. IUPAC: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of ChemDiv1_012292
Property Insights of ChemDiv1_012292
The XLogP value of 3.89038 indicates that ChemDiv1_012292 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012292. Following Lipinski's Rule of Five, ChemDiv1_012292 has 3 hydrogen bond donor(s) and 8 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 ChemDiv1_012292?
The CAS number of ChemDiv1_012292 is 421584-79-4.
What is the molecular formula of ChemDiv1_012292?
The molecular formula of ChemDiv1_012292 is C22H17BrN4O5.
What is the molecular weight of ChemDiv1_012292?
The molecular weight of ChemDiv1_012292 is 496.04 g/mol.
Where can I buy ChemDiv1_012292?
You can request a quote for ChemDiv1_012292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012292?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.