LU 5-045
TL;DR: LU 5-045 (CAS 3143-77-9) is a chemical compound with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate;hydrochloride
Also Known As: LU 5-045, 1,3-Dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)benzo(c)thiophene-1-carboxylic acid HCl, 3-(dimethylamino)propyl 3,3-dimethyl-1,3-dihydro-2-benzothiophene-1-carboxylate hydrochloride(1:1), Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride, 3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate hydrochloride
| Molecular Formula | C16H24ClNO2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 3.6263 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.12164 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 3143-77-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1)C(=O)OCCCN(C)C)C.Cl |
| InChIKey | LFYIQRKVGXAEAE-UHFFFAOYSA-N |
Product Overview
LU 5-045 (CAS 3143-77-9), with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol. IUPAC: 3-(dimethylamino)propyl 3,3-dimethyl-1H-2-benzothiophene-1-carboxylate;hydrochloride.
Chemical Property Profile of LU 5-045
Property Insights of LU 5-045
The XLogP value of 3.6263 indicates that LU 5-045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, LU 5-045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 5-045 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 5-045?
The CAS number of LU 5-045 is 3143-77-9.
What is the molecular formula of LU 5-045?
The molecular formula of LU 5-045 is C16H24ClNO2S.
What is the molecular weight of LU 5-045?
The molecular weight of LU 5-045 is 329.12 g/mol.
Where can I buy LU 5-045?
You can request a quote for LU 5-045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 5-045?
Yes, KEHONG BIO provides custom synthesis services for LU 5-045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.