RefChem:326205
TL;DR: RefChem:326205 (CAS 85462-80-2) is a chemical compound with molecular formula C18H30ClNO4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride
Also Known As: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, ethyl ester, hydrochloride, tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride, BENZO(b)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-2-(3-((1,1-DIMETHYLETHYL, RefChem:326205
| Molecular Formula | C18H30ClNO4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.15842 |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 85462-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(C[NH2+]C(C)(C)C)O.[Cl-] |
| InChIKey | VUYCWLUWQBWZAE-UHFFFAOYSA-N |
Product Overview
RefChem:326205 (CAS 85462-80-2), with molecular formula C18H30ClNO4S and molecular weight 391.16 g/mol. IUPAC: tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride.
Chemical Property Profile of RefChem:326205
Property Insights of RefChem:326205
The XLogP value of -1.09 indicates that RefChem:326205 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326205. Following Lipinski's Rule of Five, RefChem:326205 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:326205?
The CAS number of RefChem:326205 is 85462-80-2.
What is the molecular formula of RefChem:326205?
The molecular formula of RefChem:326205 is C18H30ClNO4S.
What is the molecular weight of RefChem:326205?
The molecular weight of RefChem:326205 is 391.16 g/mol.
Where can I buy RefChem:326205?
You can request a quote for RefChem:326205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326205?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.