Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate
TL;DR: Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate (CAS 27670-92-4) is a chemical compound with molecular formula C31H34Cl3N3OS and molecular weight 601.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-(3-chlorophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone;hydrochloride
Also Known As: Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate, 1-(1-(3-(2-Chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)pyrrolidine HCl, {1-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]-4-(3-chlorophenyl)piperidin-4-yl}(pyrrolidin-1-yl)methanone hydrochloride(1:1), [1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-(3-chlorophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone hydrochloride, [1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-(3-chlorophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone,hydrochloride
| Molecular Formula | C31H34Cl3N3OS |
|---|---|
| Molecular Weight | 601.15 g/mol |
| LogP | 8.0642 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 601.1488 |
| Heavy Atoms | 39 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 27670-92-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2(CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C6=CC(=CC=C6)Cl.Cl |
| InChIKey | HDIDVBVFLOQODB-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate (CAS 27670-92-4), with molecular formula C31H34Cl3N3OS and molecular weight 601.15 g/mol. IUPAC: [1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-(3-chlorophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
Chemical Property Profile of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate
Property Insights of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate
The XLogP value of 8.0642 indicates that Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate 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 Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate?
The CAS number of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate is 27670-92-4.
What is the molecular formula of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate?
The molecular formula of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate is C31H34Cl3N3OS.
What is the molecular weight of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate?
The molecular weight of Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate is 601.15 g/mol.
Where can I buy Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate?
You can request a quote for Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-(m-chlorophenyl)isonipecotoyl)-, monohydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.