RefChem:265611
TL;DR: RefChem:265611 (CAS 85462-94-8) is a chemical compound with molecular formula C21H30ClNO4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol;hydrochloride
Also Known As: 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-, hydrochloride, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol hydrochloride, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol,hydrochloride, 1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]propan-2-ol--hydrogen chloride (1/1), 2-Propanol,1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-,hydrochloride
| Molecular Formula | C21H30ClNO4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.6379 |
| Topological Polar Surface Area | 59.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.15842 |
| Heavy Atoms | 28 |
| Complexity | 737.1908 |
Chemical Identifiers
| CAS Number | 85462-94-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC(COC2=CSC3=C2CCCC3)O)OC.Cl |
Product Overview
RefChem:265611 (CAS 85462-94-8), with molecular formula C21H30ClNO4S and molecular weight 427.16 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:265611
Property Insights of RefChem:265611
The XLogP value of 3.6379 indicates that RefChem:265611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.95 Ų, RefChem:265611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:265611 has 2 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 RefChem:265611?
The CAS number of RefChem:265611 is 85462-94-8.
What is the molecular formula of RefChem:265611?
The molecular formula of RefChem:265611 is C21H30ClNO4S.
What is the molecular weight of RefChem:265611?
The molecular weight of RefChem:265611 is 427.16 g/mol.
Where can I buy RefChem:265611?
You can request a quote for RefChem:265611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.