BAS 13030846
TL;DR: BAS 13030846 (CAS 878736-45-9) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid
Also Known As: BAS 13030846, VU0488188-1, AB00684023-01, F0017-1049, 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.44142 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1153.0856 |
Chemical Identifiers
| CAS Number | 878736-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)O |
Product Overview
BAS 13030846 (CAS 878736-45-9), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid.
Chemical Property Profile of BAS 13030846
Property Insights of BAS 13030846
The XLogP value of 0.44142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030846. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030846. Following Lipinski's Rule of Five, BAS 13030846 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 13030846?
The CAS number of BAS 13030846 is 878736-45-9.
What is the molecular formula of BAS 13030846?
The molecular formula of BAS 13030846 is C17H17N5O4.
What is the molecular weight of BAS 13030846?
The molecular weight of BAS 13030846 is 355.13 g/mol.
Where can I buy BAS 13030846?
You can request a quote for BAS 13030846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030846?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.