RefChem:381084
TL;DR: RefChem:381084 (CAS 64036-55-1) is a chemical compound with molecular formula C28H33NO12 and molecular weight 575.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[(2'-methoxyspiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]morpholine
Also Known As: Spiro(dibenz(b,e)oxepin011,2'-(1',3')dioxolane), 6,11-dihydro-2-methoxy-4'-morpholinomethyl-, citrate, 4-[(2-methoxy-6h-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]morpholine 2-hydroxypropane-1,2,3-tricarboxylate(1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--4-[(2-methoxy-6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]morpholine (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-[(2'-methoxyspiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]morpholine, RefChem:381084
| Molecular Formula | C28H33NO12 |
|---|---|
| Molecular Weight | 575.20 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 575.20026 |
| Heavy Atoms | 41 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 64036-55-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OCC3=CC=CC=C3C24OCC(O4)CN5CCOCC5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | UVWXUICOVOTXNQ-UHFFFAOYSA-N |
Product Overview
RefChem:381084 (CAS 64036-55-1), with molecular formula C28H33NO12 and molecular weight 575.20 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[(2'-methoxyspiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]morpholine.
Chemical Property Profile of RefChem:381084
Property Insights of RefChem:381084
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:381084. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:381084 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:381084 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:381084?
The CAS number of RefChem:381084 is 64036-55-1.
What is the molecular formula of RefChem:381084?
The molecular formula of RefChem:381084 is C28H33NO12.
What is the molecular weight of RefChem:381084?
The molecular weight of RefChem:381084 is 575.20 g/mol.
Where can I buy RefChem:381084?
You can request a quote for RefChem:381084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381084?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.