RefChem:380919
TL;DR: RefChem:380919 (CAS 64036-66-4) is a chemical compound with molecular formula C26H31NO9 and molecular weight 501.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(dimethylamino)methyl-, citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(10,11-dihydrospiro[dibenzo[a,d][7]annulene-5,2'-[1,3]dioxolan]-4'-yl)-N,N-dimethylmethanamine (1/1), Spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]-4'-methanamine, 10,11-dihydro-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), RefChem:380919
| Molecular Formula | C26H31NO9 |
|---|---|
| Molecular Weight | 501.20 g/mol |
| LogP | 1.71 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.1999 |
| Heavy Atoms | 36 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 64036-66-4 |
|---|---|
| SMILES | CN(C)CC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LIXTXPYJKYXISW-UHFFFAOYSA-N |
Product Overview
RefChem:380919 (CAS 64036-66-4), with molecular formula C26H31NO9 and molecular weight 501.20 g/mol. IUPAC: N,N-dimethyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:380919
Property Insights of RefChem:380919
The XLogP value of 1.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:380919. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:380919 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:380919 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:380919?
The CAS number of RefChem:380919 is 64036-66-4.
What is the molecular formula of RefChem:380919?
The molecular formula of RefChem:380919 is C26H31NO9.
What is the molecular weight of RefChem:380919?
The molecular weight of RefChem:380919 is 501.20 g/mol.
Where can I buy RefChem:380919?
You can request a quote for RefChem:380919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380919?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.