LU 4-006 hydrochloride
TL;DR: LU 4-006 hydrochloride (CAS 25173-35-7) is a chemical compound with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate;hydrochloride
Also Known As: LU 4-006 hydrochloride, 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride, 3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid methyl ester HCl, methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-carboxylate hydrochloride(1:1), methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate hydrochloride
| Molecular Formula | C17H26ClNO3 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 3.0838 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.16013 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 25173-35-7 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)OC)C.Cl |
| InChIKey | DKGIBDZBGUDFGO-UHFFFAOYSA-N |
Product Overview
LU 4-006 hydrochloride (CAS 25173-35-7), with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol. IUPAC: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate;hydrochloride.
Chemical Property Profile of LU 4-006 hydrochloride
Property Insights of LU 4-006 hydrochloride
The XLogP value of 3.0838 indicates that LU 4-006 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, LU 4-006 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 4-006 hydrochloride has 1 hydrogen bond donor(s) and 4 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 4-006 hydrochloride?
The CAS number of LU 4-006 hydrochloride is 25173-35-7.
What is the molecular formula of LU 4-006 hydrochloride?
The molecular formula of LU 4-006 hydrochloride is C17H26ClNO3.
What is the molecular weight of LU 4-006 hydrochloride?
The molecular weight of LU 4-006 hydrochloride is 327.16 g/mol.
Where can I buy LU 4-006 hydrochloride?
You can request a quote for LU 4-006 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 4-006 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for LU 4-006 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.