BAS 13030153
TL;DR: BAS 13030153 (CAS 878733-52-9) is a chemical compound with molecular formula C21H22ClN5O4 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(3-chloro-4-methylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 13030153, AB00682997-01, F3124-0582, ethyl 2-(8-(3-chloro-4-methylphenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, ethyl 2-[6-(3-chloro-4-methylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C21H22ClN5O4 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 2.28036 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.13602 |
| Heavy Atoms | 31 |
| Complexity | 1488.2057 |
Chemical Identifiers
| CAS Number | 878733-52-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=C(C=C4)C)Cl)C)C)N(C1=O)C |
Product Overview
BAS 13030153 (CAS 878733-52-9), with molecular formula C21H22ClN5O4 and molecular weight 443.14 g/mol. IUPAC: ethyl 2-[6-(3-chloro-4-methylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 13030153
Property Insights of BAS 13030153
The XLogP value of 2.28036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030153. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030153. Following Lipinski's Rule of Five, BAS 13030153 has 0 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 BAS 13030153?
The CAS number of BAS 13030153 is 878733-52-9.
What is the molecular formula of BAS 13030153?
The molecular formula of BAS 13030153 is C21H22ClN5O4.
What is the molecular weight of BAS 13030153?
The molecular weight of BAS 13030153 is 443.14 g/mol.
Where can I buy BAS 13030153?
You can request a quote for BAS 13030153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030153?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.