Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate
TL;DR: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate (CAS 1520-39-4) is a chemical compound with molecular formula C23H26ClNO7 and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]-N-ethylethanamine;oxalic acid
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate, n-[(2-chloro-6h-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]-n-ethylethanamine ethanedioate(1:1), N-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]-N-ethylethanamine; oxalic acid, Oxalic acid--N-[(2-chloro-6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]-N-ethylethanamine (1/1), Spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methanamine, 2-chloro-N,N-diethyl-, ethanedioate (1:1)
| Molecular Formula | C23H26ClNO7 |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 3.3463 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.13977 |
| Heavy Atoms | 32 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 1520-39-4 |
|---|---|
| SMILES | CCN(CC)CC1COC2(O1)C3=CC=CC=C3COC4=C2C=C(C=C4)Cl.C(=O)(C(=O)O)O |
| InChIKey | SISNUVGPTCCAFS-UHFFFAOYSA-N |
Product Overview
Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate (CAS 1520-39-4), with molecular formula C23H26ClNO7 and molecular weight 463.14 g/mol. IUPAC: N-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]-N-ethylethanamine;oxalic acid.
Chemical Property Profile of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate
Property Insights of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate
The XLogP value of 3.3463 indicates that Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate. Following Lipinski's Rule of Five, Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate has 2 hydrogen bond donor(s) and 8 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 Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate?
The CAS number of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate is 1520-39-4.
What is the molecular formula of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate?
The molecular formula of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate is C23H26ClNO7.
What is the molecular weight of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate?
The molecular weight of Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate is 463.14 g/mol.
Where can I buy Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate?
You can request a quote for Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.