AB01305676-01
TL;DR: AB01305676-01 (CAS 713098-66-9) is a chemical compound with molecular formula C23H21BrN4O4 and molecular weight 496.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: AB01305676-01, 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C23H21BrN4O4 |
|---|---|
| Molecular Weight | 496.07 g/mol |
| LogP | 4.47328 |
| Topological Polar Surface Area | 115.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.07462 |
| Heavy Atoms | 32 |
| Complexity | 1228.0288 |
Chemical Identifiers
| CAS Number | 713098-66-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4Br)OC)OC |
Product Overview
AB01305676-01 (CAS 713098-66-9), with molecular formula C23H21BrN4O4 and molecular weight 496.07 g/mol. IUPAC: 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of AB01305676-01
Property Insights of AB01305676-01
The XLogP value of 4.47328 indicates that AB01305676-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305676-01. Following Lipinski's Rule of Five, AB01305676-01 has 2 hydrogen bond donor(s) and 7 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 AB01305676-01?
The CAS number of AB01305676-01 is 713098-66-9.
What is the molecular formula of AB01305676-01?
The molecular formula of AB01305676-01 is C23H21BrN4O4.
What is the molecular weight of AB01305676-01?
The molecular weight of AB01305676-01 is 496.07 g/mol.
Where can I buy AB01305676-01?
You can request a quote for AB01305676-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305676-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305676-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.