LU 4-004 oxalate
TL;DR: LU 4-004 oxalate (CAS 29138-41-8) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine;oxalic acid
Also Known As: LU 4-004 oxalate, 3,3-Dimethyl-1-phenyl-1-phthalanpropylamine oxalate, 1-Phthalanpropylamine, 3,3-dimethyl-1-phenyl-, oxalate, 1-Isobenzofuranpropanamine, 1,3-dihydro-3,3-dimethyl-1-phenyl-, oxalate, Oxalic acid--3-(3,3-dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)propan-1-amine (1/1)
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.09 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 29138-41-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN)C3=CC=CC=C3)C.C(=O)(C(=O)O)O |
| InChIKey | DZLQVEDZCDDAKY-UHFFFAOYSA-N |
Product Overview
LU 4-004 oxalate (CAS 29138-41-8), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine;oxalic acid.
Chemical Property Profile of LU 4-004 oxalate
Property Insights of LU 4-004 oxalate
The XLogP value of 3.09 indicates that LU 4-004 oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for LU 4-004 oxalate. Following Lipinski's Rule of Five, LU 4-004 oxalate 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 LU 4-004 oxalate?
The CAS number of LU 4-004 oxalate is 29138-41-8.
What is the molecular formula of LU 4-004 oxalate?
The molecular formula of LU 4-004 oxalate is C21H25NO5.
What is the molecular weight of LU 4-004 oxalate?
The molecular weight of LU 4-004 oxalate is 371.17 g/mol.
Where can I buy LU 4-004 oxalate?
You can request a quote for LU 4-004 oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 4-004 oxalate?
Yes, KEHONG BIO provides custom synthesis services for LU 4-004 oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.