2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate
TL;DR: 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate (CAS 91067-28-6) is a chemical compound with molecular formula C17H25ClN4O3S and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione;hydrate
Also Known As: 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate, 5-Chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-2H-benzimidazole-2-thione hydrate, 5-chloro-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione hydrate, 5-Chloro-1,3-bis[(morpholin-4-yl)methyl]-1,3-dihydro-2H-1,3-benzimidazole-2-thione--water (1/1), RefChem:268577
| Molecular Formula | C17H25ClN4O3S |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 1.58039 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.13358 |
| Heavy Atoms | 26 |
| Complexity | 797.13727 |
Chemical Identifiers
| CAS Number | 91067-28-6 |
|---|---|
| SMILES | C1COCCN1CN2C3=C(C=C(C=C3)Cl)N(C2=S)CN4CCOCC4.O |
Product Overview
2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate (CAS 91067-28-6), with molecular formula C17H25ClN4O3S and molecular weight 400.13 g/mol. IUPAC: 5-chloro-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione;hydrate.
Chemical Property Profile of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate
Property Insights of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate
The XLogP value of 1.58039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate. Following Lipinski's Rule of Five, 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate has 0 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 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate?
The CAS number of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate is 91067-28-6.
What is the molecular formula of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate?
The molecular formula of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate is C17H25ClN4O3S.
What is the molecular weight of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate?
The molecular weight of 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate is 400.13 g/mol.
Where can I buy 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate?
You can request a quote for 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.