AB00772788-01
TL;DR: AB00772788-01 (CAS 846583-42-4) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00772788-01, 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-1,3,5-trihydro-6H,7H,8H-1,3-diaza perhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H31N5O2 |
|---|---|
| Molecular Weight | 409.25 g/mol |
| LogP | 3.49154 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.24777 |
| Heavy Atoms | 30 |
| Complexity | 1196.7772 |
Chemical Identifiers
| CAS Number | 846583-42-4 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC(=CC(=C4)C)C)C)N(C1=O)C |
Product Overview
AB00772788-01 (CAS 846583-42-4), with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol. IUPAC: 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00772788-01
Property Insights of AB00772788-01
The XLogP value of 3.49154 indicates that AB00772788-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772788-01. Following Lipinski's Rule of Five, AB00772788-01 has 0 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 AB00772788-01?
The CAS number of AB00772788-01 is 846583-42-4.
What is the molecular formula of AB00772788-01?
The molecular formula of AB00772788-01 is C23H31N5O2.
What is the molecular weight of AB00772788-01?
The molecular weight of AB00772788-01 is 409.25 g/mol.
Where can I buy AB00772788-01?
You can request a quote for AB00772788-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772788-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772788-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.