BAS 13030857
TL;DR: BAS 13030857 (CAS 878736-57-3) is a chemical compound with molecular formula C16H14ClN5O4 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(3-chlorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid
Also Known As: BAS 13030857, F3124-1275, 2-[6-(3-chlorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid, 2-(8-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-1H-imidazo[2,1-f]purin-3(2H,4H,6H)-yl)acetic acid, 2-[8-(3-chlorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetic acid
| Molecular Formula | C16H14ClN5O4 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 0.7864 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07343 |
| Heavy Atoms | 26 |
| Complexity | 1175.8224 |
Chemical Identifiers
| CAS Number | 878736-57-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)O)N3CCN(C3=N2)C4=CC(=CC=C4)Cl |
Product Overview
BAS 13030857 (CAS 878736-57-3), with molecular formula C16H14ClN5O4 and molecular weight 375.07 g/mol. IUPAC: 2-[6-(3-chlorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid.
Chemical Property Profile of BAS 13030857
Property Insights of BAS 13030857
The XLogP value of 0.7864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030857. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030857. Following Lipinski's Rule of Five, BAS 13030857 has 1 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 13030857?
The CAS number of BAS 13030857 is 878736-57-3.
What is the molecular formula of BAS 13030857?
The molecular formula of BAS 13030857 is C16H14ClN5O4.
What is the molecular weight of BAS 13030857?
The molecular weight of BAS 13030857 is 375.07 g/mol.
Where can I buy BAS 13030857?
You can request a quote for BAS 13030857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030857?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.