1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol
TL;DR: 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol (CAS 70700-29-7) is a chemical compound with molecular formula C20H33NOS and molecular weight 335.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(octylamino)propan-1-ol
Also Known As: CP 751S, (R*,S*)-(+-)-3,4-Dihydro-alpha-(1-(octylamino)ethyl)-2H-1-benzothiopyran-6-methanol, (2R)-1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol, (2R)-1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(octylamino)propan-1-ol, 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol
| Molecular Formula | C20H33NOS |
|---|---|
| Molecular Weight | 335.23 g/mol |
| LogP | 5.0969 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 335.22827 |
| Heavy Atoms | 23 |
| Complexity | 462.95493 |
Chemical Identifiers
| CAS Number | 70700-29-7 |
|---|---|
| SMILES | CCCCCCCCN[C@H](C)C(C1=CC2=C(C=C1)SCCC2)O |
Product Overview
1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol (CAS 70700-29-7), with molecular formula C20H33NOS and molecular weight 335.23 g/mol. IUPAC: (2R)-1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(octylamino)propan-1-ol.
Chemical Property Profile of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol
Property Insights of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol
The XLogP value of 5.0969 indicates that 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol?
The CAS number of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol is 70700-29-7.
What is the molecular formula of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol?
The molecular formula of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol is C20H33NOS.
What is the molecular weight of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol?
The molecular weight of 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol is 335.23 g/mol.
Where can I buy 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol?
You can request a quote for 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-2H-1-benzothiopyran-6-yl)-2-(octylamino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.