A0508/0023593
TL;DR: A0508/0023593 (CAS 313379-80-5) is a chemical compound with molecular formula C27H22N4O2 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-1-phenyl-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: A0508/0023593, 6-amino-4-[3-(benzyloxy)phenyl]-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-1-phenyl-4-(3-phenylmethoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-1-phenyl-4-[3-(phenylmethoxy)phenyl]-4H-pyrano[3,2-d]pyrazole -5-carbonitrile, 6-amino-4-(3-(benzyloxy)phenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C27H22N4O2 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.9779 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1743 |
| Heavy Atoms | 33 |
| Complexity | 1368.5092 |
Chemical Identifiers
| CAS Number | 313379-80-5 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A0508/0023593 (CAS 313379-80-5), with molecular formula C27H22N4O2 and molecular weight 434.17 g/mol. IUPAC: 6-amino-3-methyl-1-phenyl-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of A0508/0023593
Property Insights of A0508/0023593
The XLogP value of 4.9779 indicates that A0508/0023593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A0508/0023593. Following Lipinski's Rule of Five, A0508/0023593 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 A0508/0023593?
The CAS number of A0508/0023593 is 313379-80-5.
What is the molecular formula of A0508/0023593?
The molecular formula of A0508/0023593 is C27H22N4O2.
What is the molecular weight of A0508/0023593?
The molecular weight of A0508/0023593 is 434.17 g/mol.
Where can I buy A0508/0023593?
You can request a quote for A0508/0023593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0508/0023593?
Yes, KEHONG BIO provides custom synthesis services for A0508/0023593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.