5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇
TL;DR: 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 (CAS 113060-13-2) is a chemical compound with molecular formula C11H12Cl2N2O and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)propan-1-ol
Also Known As: 1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-, 5,6-Dichloro-1-(3-hydroxypropyl)-2-methylbenzimidazole, J1.558.426B, 5,6-Dichloro-2-methyl-1H-benzimidazole-1-propanol, 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)propan-1-ol
| Molecular Formula | C11H12Cl2N2O |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.03265 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| Solubility | 33.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 113060-13-2 |
|---|---|
| SMILES | CC1=NC2=CC(=C(C=C2N1CCCO)Cl)Cl |
| InChIKey | KYCISTYRQNEVDL-UHFFFAOYSA-N |
Product Overview
5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 (CAS 113060-13-2), with molecular formula C11H12Cl2N2O and molecular weight 258.03 g/mol. IUPAC: 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)propan-1-ol.
Chemical Property Profile of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇
Property Insights of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇. With a topological polar surface area (TPSA) of 38.1 Ų, 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 has 1 hydrogen bond donor(s) and 2 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 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇?
The CAS number of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 is 113060-13-2.
What is the molecular formula of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇?
The molecular formula of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 is C11H12Cl2N2O.
What is the molecular weight of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇?
The molecular weight of 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 is 258.03 g/mol.
Where can I buy 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇?
You can request a quote for 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二氯-2-甲基-1H-苯并咪唑-1-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.