BAS 03305056
TL;DR: BAS 03305056 (CAS 459180-80-4) is a chemical compound with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 03305056, AF-399/41703046, N-prop-2-enyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-allyl-2-[(thien-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(prop-2-en-1-yl)-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C17H18N2O2S2 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.8565 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.08096 |
| Heavy Atoms | 23 |
| Complexity | 732.11237 |
Chemical Identifiers
| CAS Number | 459180-80-4 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3 |
Product Overview
BAS 03305056 (CAS 459180-80-4), with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol. IUPAC: N-prop-2-enyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 03305056
Property Insights of BAS 03305056
The XLogP value of 3.8565 indicates that BAS 03305056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 03305056 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03305056 has 2 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 BAS 03305056?
The CAS number of BAS 03305056 is 459180-80-4.
What is the molecular formula of BAS 03305056?
The molecular formula of BAS 03305056 is C17H18N2O2S2.
What is the molecular weight of BAS 03305056?
The molecular weight of BAS 03305056 is 346.08 g/mol.
Where can I buy BAS 03305056?
You can request a quote for BAS 03305056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03305056?
Yes, KEHONG BIO provides custom synthesis services for BAS 03305056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.