AB00787116-01
TL;DR: AB00787116-01 (CAS 378755-82-9) is a chemical compound with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: AB00787116-01, 8-[(E)-2-{[4-(benzyloxy)phenyl]methylidene}hydrazin-1-yl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-trimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione, (E)-8-(2-(4-(benzyloxy)benzylidene)hydrazinyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H22N6O3 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 1.9957 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.17532 |
| Heavy Atoms | 31 |
| Complexity | 1365.1313 |
Chemical Identifiers
| CAS Number | 378755-82-9 |
|---|---|
| SMILES | CN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C |
Product Overview
AB00787116-01 (CAS 378755-82-9), with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol. IUPAC: 1,3,7-trimethyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of AB00787116-01
Property Insights of AB00787116-01
The XLogP value of 1.9957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00787116-01. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787116-01. Following Lipinski's Rule of Five, AB00787116-01 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 AB00787116-01?
The CAS number of AB00787116-01 is 378755-82-9.
What is the molecular formula of AB00787116-01?
The molecular formula of AB00787116-01 is C22H22N6O3.
What is the molecular weight of AB00787116-01?
The molecular weight of AB00787116-01 is 418.18 g/mol.
Where can I buy AB00787116-01?
You can request a quote for AB00787116-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787116-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787116-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.