BAS 13030120
TL;DR: BAS 13030120 (CAS 878733-28-9) is a chemical compound with molecular formula C17H16ClN5O2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030120, 8-(3-chloro-4-methylphenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F3124-0549, 6-(3-chloro-4-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methylphenyl)-1,6,7-trimethyl-1,3,5-trihydro-4-imidazolino[1,2-h ]purine-2,4-dione
| Molecular Formula | C17H16ClN5O2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 2.24386 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.09924 |
| Heavy Atoms | 25 |
| Complexity | 1288.827 |
Chemical Identifiers
| CAS Number | 878733-28-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)NC(=O)N4C)C)C)Cl |
Product Overview
BAS 13030120 (CAS 878733-28-9), with molecular formula C17H16ClN5O2 and molecular weight 357.10 g/mol. IUPAC: 6-(3-chloro-4-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030120
Property Insights of BAS 13030120
The XLogP value of 2.24386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030120. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030120. Following Lipinski's Rule of Five, BAS 13030120 has 1 hydrogen bond donor(s) and 3 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 BAS 13030120?
The CAS number of BAS 13030120 is 878733-28-9.
What is the molecular formula of BAS 13030120?
The molecular formula of BAS 13030120 is C17H16ClN5O2.
What is the molecular weight of BAS 13030120?
The molecular weight of BAS 13030120 is 357.10 g/mol.
Where can I buy BAS 13030120?
You can request a quote for BAS 13030120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030120?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.