5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole
TL;DR: 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole (CAS 86763-47-5) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-(2-methylpropylsulfinyl)-1H-benzimidazol-2-yl]carbamate
Also Known As: Ibscmab, 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole, methyl N-[6-(2-methylpropylsulfinyl)-1H-benzimidazol-2-yl]carbamate, 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole hydrochloride, methyl{6-[(2-methylpropyl)sulfinyl]-1h-benzimidazol-2-yl}carbamate
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 86763-47-5 |
|---|---|
| SMILES | CC(C)CS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC |
| InChIKey | FAGXQOQAQIKSEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole (CAS 86763-47-5), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: methyl N-[6-(2-methylpropylsulfinyl)-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole
Property Insights of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole. Following Lipinski's Rule of Five, 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole has 2 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 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole?
The CAS number of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole is 86763-47-5.
What is the molecular formula of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole?
The molecular formula of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole is C13H17N3O3S.
What is the molecular weight of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole?
The molecular weight of 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole is 295.10 g/mol.
Where can I buy 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole?
You can request a quote for 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5(6)-Isobutylsulfinyl-2-carbomethoxyaminobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.