RefChem:369567
TL;DR: RefChem:369567 (CAS 101318-94-9) is a chemical compound with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate;hydrochloride
Also Known As: Phenothiazine-10-carboxylic acid, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride, 4-pyrrolidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate hydrochloride, 4-pyrrolidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate,hydrochloride, Phenothiazine-10-carboxylic acid,4-(1-pyrrolidinyl)-2-butynyl ester,hydrochloride, 4-(Pyrrolidin-1-yl)but-2-yn-1-yl 10H-phenothiazine-10-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C21H21ClN2O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 4.9469 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.10123 |
| Heavy Atoms | 27 |
| Complexity | 826.2256 |
Chemical Identifiers
| CAS Number | 101318-94-9 |
|---|---|
| SMILES | C1CCN(C1)CC#CCOC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.Cl |
Product Overview
RefChem:369567 (CAS 101318-94-9), with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:369567
Property Insights of RefChem:369567
The XLogP value of 4.9469 indicates that RefChem:369567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, RefChem:369567 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369567 has 0 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 RefChem:369567?
The CAS number of RefChem:369567 is 101318-94-9.
What is the molecular formula of RefChem:369567?
The molecular formula of RefChem:369567 is C21H21ClN2O2S.
What is the molecular weight of RefChem:369567?
The molecular weight of RefChem:369567 is 400.10 g/mol.
Where can I buy RefChem:369567?
You can request a quote for RefChem:369567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.