BAS 00631400
TL;DR: BAS 00631400 (CAS 296265-58-2) is a chemical compound with molecular formula C26H22N4OS and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-phenyl-4-prop-2-enylimidazo[1,2-a]benzimidazole-1-carbothioamide
Also Known As: BAS 00631400, AE-848/08581028, 2-(4-methoxyphenyl)-N-phenyl-4-prop-2-enylimidazo[1,2-a]benzimidazole-1-carbothioamide, 9-ALLYL-2-(4-METHOXYPHENYL)-N-PHENYL-9H-IMIDAZO[1,2-A]BENZIMIDAZOLE-3-CARBOTHIOAMIDE, 8-Allyl-2-(4-methoxy-phenyl)-8H-1,3a,8-triaza-cyclopenta[a]indene-3-carbothioic
| Molecular Formula | C26H22N4OS |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.9382 |
| Topological Polar Surface Area | 43.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.15143 |
| Heavy Atoms | 32 |
| Complexity | 1432.0446 |
Chemical Identifiers
| CAS Number | 296265-58-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4N(C3=N2)CC=C)C(=S)NC5=CC=CC=C5 |
Product Overview
BAS 00631400 (CAS 296265-58-2), with molecular formula C26H22N4OS and molecular weight 438.15 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-phenyl-4-prop-2-enylimidazo[1,2-a]benzimidazole-1-carbothioamide.
Chemical Property Profile of BAS 00631400
Property Insights of BAS 00631400
The XLogP value of 5.9382 indicates that BAS 00631400 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.49 Ų, BAS 00631400 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00631400 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00631400?
The CAS number of BAS 00631400 is 296265-58-2.
What is the molecular formula of BAS 00631400?
The molecular formula of BAS 00631400 is C26H22N4OS.
What is the molecular weight of BAS 00631400?
The molecular weight of BAS 00631400 is 438.15 g/mol.
Where can I buy BAS 00631400?
You can request a quote for BAS 00631400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00631400?
Yes, KEHONG BIO provides custom synthesis services for BAS 00631400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.