RefChem:1098985
TL;DR: RefChem:1098985 (CAS 39890-14-7) is a chemical compound with molecular formula C23H25NO7 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-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'-(dimethylamino)methyl-, maleate, (E)-but-2-enedioic acid; N,N-dimethyl-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,N-dimethyl-, (Z)-2-butenedioate (1:1), RefChem:1098985
| Molecular Formula | C23H25NO7 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 2.4689 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.16312 |
| Heavy Atoms | 31 |
| Complexity | 906.4023 |
Chemical Identifiers
| CAS Number | 39890-14-7 |
|---|---|
| SMILES | CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098985 (CAS 39890-14-7), with molecular formula C23H25NO7 and molecular weight 427.16 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine.
Chemical Property Profile of RefChem:1098985
Property Insights of RefChem:1098985
The XLogP value of 2.4689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098985. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098985. Following Lipinski's Rule of Five, RefChem:1098985 has 2 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:1098985?
The CAS number of RefChem:1098985 is 39890-14-7.
What is the molecular formula of RefChem:1098985?
The molecular formula of RefChem:1098985 is C23H25NO7.
What is the molecular weight of RefChem:1098985?
The molecular weight of RefChem:1098985 is 427.16 g/mol.
Where can I buy RefChem:1098985?
You can request a quote for RefChem:1098985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.