BAS 01024929
TL;DR: BAS 01024929 (CAS 499986-99-1) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
Also Known As: BAS 01024929, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanamide, N~1~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-4-(METHYLSULFANYL)BUTANAMIDE
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 3.85498 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1035.0654 |
Chemical Identifiers
| CAS Number | 499986-99-1 |
|---|---|
| SMILES | CSCCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 01024929 (CAS 499986-99-1), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide.
Chemical Property Profile of BAS 01024929
Property Insights of BAS 01024929
The XLogP value of 3.85498 indicates that BAS 01024929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01024929. Following Lipinski's Rule of Five, BAS 01024929 has 1 hydrogen bond donor(s) and 6 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 01024929?
The CAS number of BAS 01024929 is 499986-99-1.
What is the molecular formula of BAS 01024929?
The molecular formula of BAS 01024929 is C22H21N3O3S2.
What is the molecular weight of BAS 01024929?
The molecular weight of BAS 01024929 is 439.10 g/mol.
Where can I buy BAS 01024929?
You can request a quote for BAS 01024929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01024929?
Yes, KEHONG BIO provides custom synthesis services for BAS 01024929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.