Albendazole-beta-hydroxysulphone
TL;DR: Albendazole-beta-hydroxysulphone (CAS 85421-86-9) is a chemical compound with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamate
Also Known As: Albendazole-beta-hydroxysulphone, J2.804.111J, methyl N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamate, Methyl (5-((2-Hydroxypropyl)sulfonyl)-1h-benzimidazol-2-yl)carbamate, methyl{6-[(2-hydroxypropyl)sulfonyl]-1h-benzimidazol-2-yl}carbamate
| Molecular Formula | C12H15N3O5S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.07324 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 85421-86-9 |
|---|---|
| SMILES | CC(CS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC)O |
| InChIKey | HXRHOFREEVMBGY-UHFFFAOYSA-N |
Product Overview
Albendazole-beta-hydroxysulphone (CAS 85421-86-9), with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol. IUPAC: methyl N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of Albendazole-beta-hydroxysulphone
Property Insights of Albendazole-beta-hydroxysulphone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Albendazole-beta-hydroxysulphone. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Albendazole-beta-hydroxysulphone. Following Lipinski's Rule of Five, Albendazole-beta-hydroxysulphone has 3 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 Albendazole-beta-hydroxysulphone?
The CAS number of Albendazole-beta-hydroxysulphone is 85421-86-9.
What is the molecular formula of Albendazole-beta-hydroxysulphone?
The molecular formula of Albendazole-beta-hydroxysulphone is C12H15N3O5S.
What is the molecular weight of Albendazole-beta-hydroxysulphone?
The molecular weight of Albendazole-beta-hydroxysulphone is 313.07 g/mol.
Where can I buy Albendazole-beta-hydroxysulphone?
You can request a quote for Albendazole-beta-hydroxysulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Albendazole-beta-hydroxysulphone?
Yes, KEHONG BIO provides custom synthesis services for Albendazole-beta-hydroxysulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.