RefChem:369565
TL;DR: RefChem:369565 (CAS 74240-94-1) is a chemical compound with molecular formula C29H35N3O8S and molecular weight 585.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(diethylamino)-2-methylpent-3-yn-2-yl]phenothiazine-10-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Phenothiazine-10-carboxamide, N-(4-(diethylamino)-1,1-dimethyl-2-butynyl)-, citrate, N-(4-(Diethylamino)-1,1-dimethyl-2-butynyl)phenothiazine-10-carboxamide citrate, Citrate du N-(dimethyl-1,1-diethylamino-4-butyn-2-yl)phenothiazine-10-carboxamide [French], Citrate du N-(dimethyl-1,1-diethylamino-4-butyn-2-yl)phenothiazine-10-carboxamide, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[5-(diethylamino)-2-methylpent-3-yn-2-yl]-10H-phenothiazine-10-carboxamide (1/1)
| Molecular Formula | C29H35N3O8S |
|---|---|
| Molecular Weight | 585.21 g/mol |
| LogP | 3.8742 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 585.2145 |
| Heavy Atoms | 41 |
| Complexity | 1269.0819 |
Chemical Identifiers
| CAS Number | 74240-94-1 |
|---|---|
| SMILES | CCN(CC)CC#CC(C)(C)NC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
RefChem:369565 (CAS 74240-94-1), with molecular formula C29H35N3O8S and molecular weight 585.21 g/mol. IUPAC: N-[5-(diethylamino)-2-methylpent-3-yn-2-yl]phenothiazine-10-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:369565
Property Insights of RefChem:369565
The XLogP value of 3.8742 indicates that RefChem:369565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.71 Ų indicates high polarity, suggesting RefChem:369565 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:369565 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:369565?
The CAS number of RefChem:369565 is 74240-94-1.
What is the molecular formula of RefChem:369565?
The molecular formula of RefChem:369565 is C29H35N3O8S.
What is the molecular weight of RefChem:369565?
The molecular weight of RefChem:369565 is 585.21 g/mol.
Where can I buy RefChem:369565?
You can request a quote for RefChem:369565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.