BAS 01313786
TL;DR: BAS 01313786 (CAS 296798-57-7) is a chemical compound with molecular formula C18H24N4O4S and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate
Also Known As: BAS 01313786, ethyl 6-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate, 1H-Imidazole-4-hexanoic acid, 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2,3-dihydro-epsilon,2-dioxo-, ethyl ester, 6-[5-(4,6-dimethylpyrimidin-2-yl)thiomethyl-2-oxo-4-imidazolin-4-yl]-6-oxohexanoic acid ethyl ester, 6-[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester
| Molecular Formula | C18H24N4O4S |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 2.70834 |
| Topological Polar Surface Area | 117.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.15182 |
| Heavy Atoms | 27 |
| Complexity | 839.0368 |
Chemical Identifiers
| CAS Number | 296798-57-7 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C |
Product Overview
BAS 01313786 (CAS 296798-57-7), with molecular formula C18H24N4O4S and molecular weight 392.15 g/mol. IUPAC: ethyl 6-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate.
Chemical Property Profile of BAS 01313786
Property Insights of BAS 01313786
The XLogP value of 2.70834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01313786. The TPSA of 117.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313786. Following Lipinski's Rule of Five, BAS 01313786 has 2 hydrogen bond donor(s) and 7 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 01313786?
The CAS number of BAS 01313786 is 296798-57-7.
What is the molecular formula of BAS 01313786?
The molecular formula of BAS 01313786 is C18H24N4O4S.
What is the molecular weight of BAS 01313786?
The molecular weight of BAS 01313786 is 392.15 g/mol.
Where can I buy BAS 01313786?
You can request a quote for BAS 01313786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313786?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.