RefChem:272736
TL;DR: RefChem:272736 (CAS 5798-14-1) is a chemical compound with molecular formula C23H31Cl2N3OS and molecular weight 467.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride
Also Known As: 8-(3-(Phenothiazin-10-yl)propyl)-3,8-diazabicyclo(3.2.1)octane-3-ethanol, dihydrochloride, 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-(3-(phenothiazin-10-yl)propyl)-, dihydrochloride, 3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-(3-phenothiazin-10-ylpropyl)-, dihydrochloride, 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride, 2-{8-[3-(10H-Phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl}ethan-1-ol--hydrogen chloride (1/2)
| Molecular Formula | C23H31Cl2N3OS |
|---|---|
| Molecular Weight | 467.16 g/mol |
| LogP | 4.6639 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1565 |
| Heavy Atoms | 30 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 5798-14-1 |
|---|---|
| SMILES | C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=CC=CC=C53)CCO.Cl.Cl |
| InChIKey | VYIDEKCKRBYLPW-UHFFFAOYSA-N |
Product Overview
RefChem:272736 (CAS 5798-14-1), with molecular formula C23H31Cl2N3OS and molecular weight 467.16 g/mol. IUPAC: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:272736
Property Insights of RefChem:272736
The XLogP value of 4.6639 indicates that RefChem:272736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, RefChem:272736 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272736 has 3 hydrogen bond donor(s) and 5 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:272736?
The CAS number of RefChem:272736 is 5798-14-1.
What is the molecular formula of RefChem:272736?
The molecular formula of RefChem:272736 is C23H31Cl2N3OS.
What is the molecular weight of RefChem:272736?
The molecular weight of RefChem:272736 is 467.16 g/mol.
Where can I buy RefChem:272736?
You can request a quote for RefChem:272736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.