RefChem:272734
TL;DR: RefChem:272734 (CAS 5798-10-7) is a chemical compound with molecular formula C23H30Cl3N3OS and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[3-(2-chlorophenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride, 2-[8-[3-(2-chlorophenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride, 2-{8-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl}ethan-1-ol--hydrogen chloride (1/2), RefChem:272734
| Molecular Formula | C23H30Cl3N3OS |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 5.3173 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.11752 |
| Heavy Atoms | 31 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 5798-10-7 |
|---|---|
| SMILES | C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)CCO.Cl.Cl |
| InChIKey | PQSZOWZHNIWCCB-UHFFFAOYSA-N |
Product Overview
RefChem:272734 (CAS 5798-10-7), with molecular formula C23H30Cl3N3OS and molecular weight 501.12 g/mol. IUPAC: 2-[8-[3-(2-chlorophenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:272734
Property Insights of RefChem:272734
The XLogP value of 5.3173 indicates that RefChem:272734 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:272734 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272734 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272734?
The CAS number of RefChem:272734 is 5798-10-7.
What is the molecular formula of RefChem:272734?
The molecular formula of RefChem:272734 is C23H30Cl3N3OS.
What is the molecular weight of RefChem:272734?
The molecular weight of RefChem:272734 is 501.12 g/mol.
Where can I buy RefChem:272734?
You can request a quote for RefChem:272734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.