N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 887202-34-8) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-amino-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, L-2545, F1984-0001, 2-amino-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.1249 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 422.8984 |
Chemical Identifiers
| CAS Number | 887202-34-8 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(SC2=C1CCCC2)N |
Product Overview
N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 887202-34-8), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 2-amino-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.1249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. With a topological polar surface area (TPSA) of 55.12 Ų, N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 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 N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 887202-34-8.
What is the molecular formula of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C12H16N2OS.
What is the molecular weight of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 236.10 g/mol.
Where can I buy N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.