RefChem:268561
TL;DR: RefChem:268561 (CAS 112094-09-4) is a chemical compound with molecular formula C17H27N5O6S and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitrobenzimidazole-2-thione
Also Known As: 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis((bis(2-hydroxyethyl)amino)methyl)-4-nitro-, 1,3-Dihydro-1,3-bis((bis(2-hydroxyethyl)amino)methyl)-4-nitro-2H-benzimidazole-2-thione, 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitrobenzimidazole-2-thione, 1,3-Bis{[bis(2-hydroxyethyl)amino]methyl}-4-nitro-1,3-dihydro-2H-1,3-benzimidazole-2-thione, RefChem:268561
| Molecular Formula | C17H27N5O6S |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | -0.43131 |
| Topological Polar Surface Area | 140.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 429.1682 |
| Heavy Atoms | 29 |
| Complexity | 857.8509 |
Chemical Identifiers
| CAS Number | 112094-09-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])N(C(=S)N2CN(CCO)CCO)CN(CCO)CCO |
Product Overview
RefChem:268561 (CAS 112094-09-4), with molecular formula C17H27N5O6S and molecular weight 429.17 g/mol. IUPAC: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitrobenzimidazole-2-thione.
Chemical Property Profile of RefChem:268561
Property Insights of RefChem:268561
The XLogP value of -0.43131 indicates that RefChem:268561 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.4 Ų indicates high polarity, suggesting RefChem:268561 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:268561 has 4 hydrogen bond donor(s) and 9 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 RefChem:268561?
The CAS number of RefChem:268561 is 112094-09-4.
What is the molecular formula of RefChem:268561?
The molecular formula of RefChem:268561 is C17H27N5O6S.
What is the molecular weight of RefChem:268561?
The molecular weight of RefChem:268561 is 429.17 g/mol.
Where can I buy RefChem:268561?
You can request a quote for RefChem:268561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268561?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.