BAS 00529182
TL;DR: BAS 00529182 (CAS 69438-35-3) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00529182, (E)-2-((4-methoxybenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, F1018-0498, 2-[(E)-[(4-METHOXYPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-[(E)-(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.25778 |
| Topological Polar Surface Area | 45.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 707.6267 |
Chemical Identifiers
| CAS Number | 69438-35-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N |
Product Overview
BAS 00529182 (CAS 69438-35-3), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 2-[(E)-(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00529182
Property Insights of BAS 00529182
The XLogP value of 4.25778 indicates that BAS 00529182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.38 Ų, BAS 00529182 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00529182 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
Frequently Asked Questions
What is the CAS number of BAS 00529182?
The CAS number of BAS 00529182 is 69438-35-3.
What is the molecular formula of BAS 00529182?
The molecular formula of BAS 00529182 is C17H16N2OS.
What is the molecular weight of BAS 00529182?
The molecular weight of BAS 00529182 is 296.10 g/mol.
Where can I buy BAS 00529182?
You can request a quote for BAS 00529182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00529182?
Yes, KEHONG BIO provides custom synthesis services for BAS 00529182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.