BAS 01022685
TL;DR: BAS 01022685 (CAS 333774-47-3) is a chemical compound with molecular formula C24H25N3O2S and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 01022685, BIM-0016618.P001, 2-{2-[(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, AH-262/36337013, 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C24H25N3O2S |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 4.96808 |
| Topological Polar Surface Area | 59.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.16675 |
| Heavy Atoms | 30 |
| Complexity | 1104.3418 |
Chemical Identifiers
| CAS Number | 333774-47-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=CC2=CC=CN2C3=C(C4=C(S3)CCCC4)C#N)OC |
Product Overview
BAS 01022685 (CAS 333774-47-3), with molecular formula C24H25N3O2S and molecular weight 419.17 g/mol. IUPAC: 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 01022685
Property Insights of BAS 01022685
The XLogP value of 4.96808 indicates that BAS 01022685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.54 Ų, BAS 01022685 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01022685 has 0 hydrogen bond donor(s) and 5 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 01022685?
The CAS number of BAS 01022685 is 333774-47-3.
What is the molecular formula of BAS 01022685?
The molecular formula of BAS 01022685 is C24H25N3O2S.
What is the molecular weight of BAS 01022685?
The molecular weight of BAS 01022685 is 419.17 g/mol.
Where can I buy BAS 01022685?
You can request a quote for BAS 01022685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022685?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.