阿地洛尔盐酸盐一水合物
TL;DR: 阿地洛尔盐酸盐一水合物 (CAS 83487-83-6) is a chemical compound with molecular formula C25H32ClN3O4 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿地洛尔盐酸盐一水合物
3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-one;hydrate;hydrochloride
Also Known As: Adimolol, Adimolol hydrochloride hydrate, Men 935, Adimolol hydrochloride monohydrate, MEN-935 hydrochloride monohydrate
| Molecular Formula | C25H32ClN3O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 3.2781 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.20813 |
| Heavy Atoms | 33 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 83487-83-6 |
|---|---|
| SMILES | CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(COC3=CC=CC4=CC=CC=C43)O.O.Cl |
| InChIKey | ADETVRISJJRVMM-UHFFFAOYSA-N |
Product Overview
阿地洛尔盐酸盐一水合物 (CAS 83487-83-6), with molecular formula C25H32ClN3O4 and molecular weight 473.21 g/mol. IUPAC: 3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-one;hydrate;hydrochloride.
Chemical Property Profile of 阿地洛尔盐酸盐一水合物
Property Insights of 阿地洛尔盐酸盐一水合物
The XLogP value of 3.2781 indicates that 阿地洛尔盐酸盐一水合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿地洛尔盐酸盐一水合物. Following Lipinski's Rule of Five, 阿地洛尔盐酸盐一水合物 has 5 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 阿地洛尔盐酸盐一水合物?
The CAS number of 阿地洛尔盐酸盐一水合物 is 83487-83-6.
What is the molecular formula of 阿地洛尔盐酸盐一水合物?
The molecular formula of 阿地洛尔盐酸盐一水合物 is C25H32ClN3O4.
What is the molecular weight of 阿地洛尔盐酸盐一水合物?
The molecular weight of 阿地洛尔盐酸盐一水合物 is 473.21 g/mol.
Where can I buy 阿地洛尔盐酸盐一水合物?
You can request a quote for 阿地洛尔盐酸盐一水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿地洛尔盐酸盐一水合物?
Yes, KEHONG BIO provides custom synthesis services for 阿地洛尔盐酸盐一水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.