8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman
TL;DR: 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman (CAS 153804-66-1) is a chemical compound with molecular formula C22H31NO2S and molecular weight 373.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol
Also Known As: 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman, 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3- tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, 1-(1-adamantylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol, 1-[(Adamantan-1-yl)amino]-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol, 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-
| Molecular Formula | C22H31NO2S |
|---|---|
| Molecular Weight | 373.21 g/mol |
| LogP | 4.023 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.20755 |
| Heavy Atoms | 26 |
| Complexity | 626.2582 |
Chemical Identifiers
| CAS Number | 153804-66-1 |
|---|---|
| SMILES | C1CC2=C(C(=CC=C2)OCC(CNC34CC5CC(C3)CC(C5)C4)O)SC1 |
Product Overview
8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman (CAS 153804-66-1), with molecular formula C22H31NO2S and molecular weight 373.21 g/mol. IUPAC: 1-(1-adamantylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol.
Chemical Property Profile of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman
Property Insights of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman
The XLogP value of 4.023 indicates that 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman has 2 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 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman?
The CAS number of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman is 153804-66-1.
What is the molecular formula of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman?
The molecular formula of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman is C22H31NO2S.
What is the molecular weight of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman?
The molecular weight of 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman is 373.21 g/mol.
Where can I buy 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman?
You can request a quote for 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.