BAS 00672053
TL;DR: BAS 00672053 (CAS 1029016-67-8) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: BAS 00672053, 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide, A0332/0015242, (E)-2-((1H-benzo[d]imidazol-2-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide, 2(1H-BENZOIMIDAZOL-2-YLSULFANYL)ACETIC ACID (3,4,5-TRI-MEO-BENZYLIDENE)HYDRAZIDE
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.8311 |
| Topological Polar Surface Area | 97.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 944.5123 |
Chemical Identifiers
| CAS Number | 1029016-67-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2 |
Product Overview
BAS 00672053 (CAS 1029016-67-8), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 00672053
Property Insights of BAS 00672053
The XLogP value of 2.8311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00672053. The TPSA of 97.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00672053. Following Lipinski's Rule of Five, BAS 00672053 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 00672053?
The CAS number of BAS 00672053 is 1029016-67-8.
What is the molecular formula of BAS 00672053?
The molecular formula of BAS 00672053 is C19H20N4O4S.
What is the molecular weight of BAS 00672053?
The molecular weight of BAS 00672053 is 400.12 g/mol.
Where can I buy BAS 00672053?
You can request a quote for BAS 00672053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00672053?
Yes, KEHONG BIO provides custom synthesis services for BAS 00672053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.