阿罗洛尔
TL;DR: 阿罗洛尔 (CAS 68377-92-4) is a chemical compound with molecular formula C15H21N3O2S3 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿罗洛尔
5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Also Known As: Arotinolol, Arotinololum, Arotinolol [INN], Arotinolo, Arotinololum [Latin]
| Molecular Formula | C15H21N3O2S3 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.0796 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| Melting Point | 149-153ºC |
| Boiling Point | 599ºC at 760 mmHg |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 68377-92-4 |
|---|---|
| SMILES | CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O |
| InChIKey | BHIAIPWSVYSKJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿罗洛尔 (CAS 68377-92-4), with molecular formula C15H21N3O2S3 and molecular weight 371.08 g/mol. IUPAC: 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide.
Chemical Property Profile of 阿罗洛尔
Property Insights of 阿罗洛尔
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿罗洛尔. The TPSA of 170.0 Ų indicates high polarity, suggesting 阿罗洛尔 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿罗洛尔 has 3 hydrogen bond donor(s) and 7 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 阿罗洛尔?
The CAS number of 阿罗洛尔 is 68377-92-4.
What is the molecular formula of 阿罗洛尔?
The molecular formula of 阿罗洛尔 is C15H21N3O2S3.
What is the molecular weight of 阿罗洛尔?
The molecular weight of 阿罗洛尔 is 371.08 g/mol.
Where can I buy 阿罗洛尔?
You can request a quote for 阿罗洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿罗洛尔?
Yes, KEHONG BIO provides custom synthesis services for 阿罗洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.