Ndr 3680A
TL;DR: Ndr 3680A (CAS 3772-70-1) is a chemical compound with molecular formula C22H28Cl2F3N3OS and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]morpholin-4-amine;dihydrochloride
Also Known As: NDR 3680A, NDR-A 3680, 2-Trifluoromethyl-10-(3-(beta-morpholinoethylamino)propyl)phenothiazine dihydrochloride, Phenothiazine, 10-(3-((2-morpholinoethyl)amino)propyl)-2-(trifluoromethyl)-, dihydrochloride, Phenothiazine, 10-(3-(beta-morpholinoethylamino)propyl)-2-trifluoromethyl-, dihydrochloride
| Molecular Formula | C22H28Cl2F3N3OS |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 6.11 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.12823 |
| Heavy Atoms | 32 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 3772-70-1 |
|---|---|
| SMILES | CCN(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)N4CCOCC4.Cl.Cl |
| InChIKey | FUEQNNLRCBFOEH-UHFFFAOYSA-N |
Product Overview
Ndr 3680A (CAS 3772-70-1), with molecular formula C22H28Cl2F3N3OS and molecular weight 509.13 g/mol. IUPAC: N-ethyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]morpholin-4-amine;dihydrochloride.
Chemical Property Profile of Ndr 3680A
Property Insights of Ndr 3680A
The XLogP value of 6.11 indicates that Ndr 3680A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, Ndr 3680A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ndr 3680A has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ndr 3680A?
The CAS number of Ndr 3680A is 3772-70-1.
What is the molecular formula of Ndr 3680A?
The molecular formula of Ndr 3680A is C22H28Cl2F3N3OS.
What is the molecular weight of Ndr 3680A?
The molecular weight of Ndr 3680A is 509.13 g/mol.
Where can I buy Ndr 3680A?
You can request a quote for Ndr 3680A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ndr 3680A?
Yes, KEHONG BIO provides custom synthesis services for Ndr 3680A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.