BAS 00898216
TL;DR: BAS 00898216 (CAS 307327-68-0) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: BAS 00898216, (E)-methyl 4-((2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetyl)hydrazono)methyl)benzoate, methyl 4-[(1E)-2-(2-benzimidazol-2-ylthioacetylamino)-2-azavinyl]benzoate, 4-(((1H-BENZOIMIDAZOL-2-YLSULFANYL)-AC)-HYDRAZONOMETHYL)-BENZOIC ACID ME ESTER, methyl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.5919 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 917.48444 |
Chemical Identifiers
| CAS Number | 307327-68-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2 |
Product Overview
BAS 00898216 (CAS 307327-68-0), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: methyl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of BAS 00898216
Property Insights of BAS 00898216
The XLogP value of 2.5919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00898216. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00898216. Following Lipinski's Rule of Five, BAS 00898216 has 2 hydrogen bond donor(s) and 6 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 00898216?
The CAS number of BAS 00898216 is 307327-68-0.
What is the molecular formula of BAS 00898216?
The molecular formula of BAS 00898216 is C18H16N4O3S.
What is the molecular weight of BAS 00898216?
The molecular weight of BAS 00898216 is 368.09 g/mol.
Where can I buy BAS 00898216?
You can request a quote for BAS 00898216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898216?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.