RefChem:1054929
TL;DR: RefChem:1054929 (CAS 55580-06-8) is a chemical compound with molecular formula C34H50N4O10 and molecular weight 674.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-[(E)-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylpropan-1-amine);oxalic acid
Also Known As: 7-Methoxy-3,4-dihydro-1-benzoxepin-O-(dimethylaminopropyl)-5-one oxime hemioxalate, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methoxy-, O-(3-(dimethylamino)propyl)oxime, ethanedioate (2:1), RefChem:1054929
| Molecular Formula | C34H50N4O10 |
|---|---|
| Molecular Weight | 674.35 g/mol |
| LogP | 4.236 |
| Topological Polar Surface Area | 161.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 674.3527 |
| Heavy Atoms | 48 |
| Complexity | 1245.6987 |
Chemical Identifiers
| CAS Number | 55580-06-8 |
|---|---|
| SMILES | CN(CCCO/N=C\1/C2=C(OCCC1)C=CC(=C2)OC)C.CN(CCCO/N=C\1/C2=C(OCCC1)C=CC(=C2)OC)C.C(=O)(O)C(=O)O |
Product Overview
RefChem:1054929 (CAS 55580-06-8), with molecular formula C34H50N4O10 and molecular weight 674.35 g/mol. IUPAC: bis(3-[(E)-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylpropan-1-amine);oxalic acid.
Chemical Property Profile of RefChem:1054929
Property Insights of RefChem:1054929
The XLogP value of 4.236 indicates that RefChem:1054929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.18 Ų indicates high polarity, suggesting RefChem:1054929 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1054929 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054929?
The CAS number of RefChem:1054929 is 55580-06-8.
What is the molecular formula of RefChem:1054929?
The molecular formula of RefChem:1054929 is C34H50N4O10.
What is the molecular weight of RefChem:1054929?
The molecular weight of RefChem:1054929 is 674.35 g/mol.
Where can I buy RefChem:1054929?
You can request a quote for RefChem:1054929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.