RefChem:1098987
TL;DR: RefChem:1098987 (CAS 52740-47-3) is a chemical compound with molecular formula C22H23NO7 and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-methyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(methylamino)methyl-, maleate, (Z)-but-2-enedioic acid; N-methyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine, Spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methanamine, N-methyl-, (Z)-2-butenedioate (1:1), RefChem:1098987
| Molecular Formula | C22H23NO7 |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 2.1267 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.14746 |
| Heavy Atoms | 30 |
| Complexity | 877.0882 |
Chemical Identifiers
| CAS Number | 52740-47-3 |
|---|---|
| SMILES | CNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098987 (CAS 52740-47-3), with molecular formula C22H23NO7 and molecular weight 413.15 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-methyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine.
Chemical Property Profile of RefChem:1098987
Property Insights of RefChem:1098987
The XLogP value of 2.1267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098987. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098987. Following Lipinski's Rule of Five, RefChem:1098987 has 3 hydrogen bond donor(s) and 6 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:1098987?
The CAS number of RefChem:1098987 is 52740-47-3.
What is the molecular formula of RefChem:1098987?
The molecular formula of RefChem:1098987 is C22H23NO7.
What is the molecular weight of RefChem:1098987?
The molecular weight of RefChem:1098987 is 413.15 g/mol.
Where can I buy RefChem:1098987?
You can request a quote for RefChem:1098987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.