RefChem:265592
TL;DR: RefChem:265592 (CAS 41727-58-6) is a chemical compound with molecular formula C16H26ClNO2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol;hydrochloride
Also Known As: KST-1B4154, Benzaldehyde, 3,5-dichloro-4-methoxy-, 7-(3-Isopropylamino-2-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzothiepin hydrochloride, 1-Benzothiepin-3-ol,5-methoxy-4-phenyl-,acetate, 1-((1-Methylethyl)amino)-3-((2,3,4,5-tetrahydro-1-benzothiepin-7-yl)oxy)-2-propanol HCl
| Molecular Formula | C16H26ClNO2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.2745 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.13727 |
| Heavy Atoms | 21 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 41727-58-6 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC2=C(C=C1)SCCCC2)O.Cl |
| InChIKey | JQQZPKRRLJACOU-UHFFFAOYSA-N |
Product Overview
RefChem:265592 (CAS 41727-58-6), with molecular formula C16H26ClNO2S and molecular weight 331.14 g/mol. IUPAC: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:265592
Property Insights of RefChem:265592
The XLogP value of 3.2745 indicates that RefChem:265592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:265592. Following Lipinski's Rule of Five, RefChem:265592 has 3 hydrogen bond donor(s) and 4 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:265592?
The CAS number of RefChem:265592 is 41727-58-6.
What is the molecular formula of RefChem:265592?
The molecular formula of RefChem:265592 is C16H26ClNO2S.
What is the molecular weight of RefChem:265592?
The molecular weight of RefChem:265592 is 331.14 g/mol.
Where can I buy RefChem:265592?
You can request a quote for RefChem:265592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265592?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.