AB00672817-01
TL;DR: AB00672817-01 (CAS 477557-37-2) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]benzamide
Also Known As: AB00672817-01, 4-(tert-butyl)-N-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamothioyl)benzamide, F0882-0677, 1-(4-tert-butylbenzoyl)-3-{2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}thiourea, 4-tert-butyl-N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]benzamide
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 5.2442 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1209.9044 |
Chemical Identifiers
| CAS Number | 477557-37-2 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C=CC=C3C1=O |
Product Overview
AB00672817-01 (CAS 477557-37-2), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: 4-tert-butyl-N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]benzamide.
Chemical Property Profile of AB00672817-01
Property Insights of AB00672817-01
The XLogP value of 5.2442 indicates that AB00672817-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672817-01. Following Lipinski's Rule of Five, AB00672817-01 has 2 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 AB00672817-01?
The CAS number of AB00672817-01 is 477557-37-2.
What is the molecular formula of AB00672817-01?
The molecular formula of AB00672817-01 is C25H25N3O2S.
What is the molecular weight of AB00672817-01?
The molecular weight of AB00672817-01 is 431.17 g/mol.
Where can I buy AB00672817-01?
You can request a quote for AB00672817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.