AO-476/40672242
TL;DR: AO-476/40672242 (CAS 496971-36-9) is a chemical compound with molecular formula C18H15N7S and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-3-phenylthiourea
Also Known As: AO-476/40672242, N-(4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N'-phenylthiourea, 1-(4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-3-phenylthiourea
| Molecular Formula | C18H15N7S |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 2.64197 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.11096 |
| Heavy Atoms | 26 |
| Complexity | 1116.7108 |
Chemical Identifiers
| CAS Number | 496971-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN2C=NC3=C(C2=N)C=NN3C4=CC=CC=C4 |
Product Overview
AO-476/40672242 (CAS 496971-36-9), with molecular formula C18H15N7S and molecular weight 361.11 g/mol. IUPAC: 1-(4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-3-phenylthiourea.
Chemical Property Profile of AO-476/40672242
Property Insights of AO-476/40672242
The XLogP value of 2.64197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-476/40672242. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-476/40672242. Following Lipinski's Rule of Five, AO-476/40672242 has 3 hydrogen bond donor(s) and 4 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 AO-476/40672242?
The CAS number of AO-476/40672242 is 496971-36-9.
What is the molecular formula of AO-476/40672242?
The molecular formula of AO-476/40672242 is C18H15N7S.
What is the molecular weight of AO-476/40672242?
The molecular weight of AO-476/40672242 is 361.11 g/mol.
Where can I buy AO-476/40672242?
You can request a quote for AO-476/40672242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/40672242?
Yes, KEHONG BIO provides custom synthesis services for AO-476/40672242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.