1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate
TL;DR: 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate (CAS 113296-07-4) is a chemical compound with molecular formula C18H19NO2S and molecular weight 313.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate
Also Known As: Dap-natc, 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate, 3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate, 3-(Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate, 3-(dimethylamino)propyl naphtho[2,1-b]thiophene-4-carboxylate
Technical Specifications
| Molecular Formula | C18H19NO2S |
| Molecular Weight | 313.11365 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.11365 Da |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
| SMILES | CN(C)CCCOC(=O)C1=CC2=CC=CC=C2C3=C1SC=C3 |
| InChIKey | AISZEDRVQXYBTK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate
Property Insights of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate
The XLogP value of 4.4 indicates that 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate?
The CAS number of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate is 113296-07-4.
What is the molecular formula of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate?
The molecular formula of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate is C18H19NO2S.
What is the molecular weight of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate?
The molecular weight of 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate is 313.11365 g/mol.
Where can I buy 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate?
You can request a quote for 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for 1-(3,3-Dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.