BAS 13119034
TL;DR: BAS 13119034 (CAS 6117-02-8) is a chemical compound with molecular formula C29H28N2O3S and molecular weight 484.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-hydroxythiophene-3-carboxylate
Also Known As: BAS 13119034, Ethyl 2-anilino-5-{[(3,3-diphenylpropyl)amino]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate, ethyl (5E)-2-anilino-5-[(3,3-diphenylpropylamino)methylidene]-4-oxothiophene-3-carboxylate, ethyl (5Z)-2-anilino-5-[(3,3-diphenylpropylamino)methylidene]-4-oxothiophene-3-carboxylate, ethyl 2-anilino-5-[(3,3-diphenylpropylamino)methylidene]-4-oxothiophene-3-carboxylate
| Molecular Formula | C29H28N2O3S |
|---|---|
| Molecular Weight | 484.18 g/mol |
| LogP | 7.0151 |
| Topological Polar Surface Area | 70.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.18207 |
| Heavy Atoms | 35 |
| Complexity | 1215.8536 |
Chemical Identifiers
| CAS Number | 6117-02-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1O)C=NCCC(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4 |
Product Overview
BAS 13119034 (CAS 6117-02-8), with molecular formula C29H28N2O3S and molecular weight 484.18 g/mol. IUPAC: ethyl 2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-hydroxythiophene-3-carboxylate.
Chemical Property Profile of BAS 13119034
Property Insights of BAS 13119034
The XLogP value of 7.0151 indicates that BAS 13119034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119034. Following Lipinski's Rule of Five, BAS 13119034 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13119034?
The CAS number of BAS 13119034 is 6117-02-8.
What is the molecular formula of BAS 13119034?
The molecular formula of BAS 13119034 is C29H28N2O3S.
What is the molecular weight of BAS 13119034?
The molecular weight of BAS 13119034 is 484.18 g/mol.
Where can I buy BAS 13119034?
You can request a quote for BAS 13119034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119034?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.