3-Pyridinethiol,6-chloro-(9CI)
TL;DR: 3-Pyridinethiol,6-chloro-(9CI) (CAS 107314-65-8) is a chemical compound with molecular formula C28H37Cl3N4O and molecular weight 550.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzhydrylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]propanamide;trihydrochloride
Also Known As: 3-Pyridinethiol,6-chloro-(9CI), C28H34N4O.3ClH.1/2H2O, C28-H34-N4-O.3Cl-H.1/2H2-O, 1-Piperazinepropanamide, N-(3-(dimethylamino)phenyl)-4-(diphenylmethyl)-, hydrochloride, hydrate (2:6:1), 3-(4-Benzhydryl-1-piperazinyl)-N-(3-dimethylaminophenyl)propionamide trihydrochloride 1/2H2O
| Molecular Formula | C28H37Cl3N4O |
|---|---|
| Molecular Weight | 550.20 g/mol |
| LogP | 5.7538 |
| Topological Polar Surface Area | 38.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.2033 |
| Heavy Atoms | 36 |
| Complexity | 989.7344 |
Chemical Identifiers
| CAS Number | 107314-65-8 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl |
Product Overview
3-Pyridinethiol,6-chloro-(9CI) (CAS 107314-65-8), with molecular formula C28H37Cl3N4O and molecular weight 550.20 g/mol. IUPAC: 3-(4-benzhydrylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]propanamide;trihydrochloride.
Chemical Property Profile of 3-Pyridinethiol,6-chloro-(9CI)
Property Insights of 3-Pyridinethiol,6-chloro-(9CI)
The XLogP value of 5.7538 indicates that 3-Pyridinethiol,6-chloro-(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.82 Ų, 3-Pyridinethiol,6-chloro-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinethiol,6-chloro-(9CI) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinethiol,6-chloro-(9CI)?
The CAS number of 3-Pyridinethiol,6-chloro-(9CI) is 107314-65-8.
What is the molecular formula of 3-Pyridinethiol,6-chloro-(9CI)?
The molecular formula of 3-Pyridinethiol,6-chloro-(9CI) is C28H37Cl3N4O.
What is the molecular weight of 3-Pyridinethiol,6-chloro-(9CI)?
The molecular weight of 3-Pyridinethiol,6-chloro-(9CI) is 550.20 g/mol.
Where can I buy 3-Pyridinethiol,6-chloro-(9CI)?
You can request a quote for 3-Pyridinethiol,6-chloro-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinethiol,6-chloro-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinethiol,6-chloro-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.