AB00111997-01
TL;DR: AB00111997-01 (CAS 429652-53-9) is a chemical compound with molecular formula C20H14N4O3S and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(furan-2-yl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide
Also Known As: AB00111997-01, (2E)-3-(furan-2-yl)-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}prop-2-enamide, (E)-3-(furan-2-yl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide
| Molecular Formula | C20H14N4O3S |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 4.0092 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.07867 |
| Heavy Atoms | 28 |
| Complexity | 1150.8987 |
Chemical Identifiers
| CAS Number | 429652-53-9 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 |
Product Overview
AB00111997-01 (CAS 429652-53-9), with molecular formula C20H14N4O3S and molecular weight 390.08 g/mol. IUPAC: (E)-3-(furan-2-yl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of AB00111997-01
Property Insights of AB00111997-01
The XLogP value of 4.0092 indicates that AB00111997-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111997-01. Following Lipinski's Rule of Five, AB00111997-01 has 2 hydrogen bond donor(s) and 6 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 AB00111997-01?
The CAS number of AB00111997-01 is 429652-53-9.
What is the molecular formula of AB00111997-01?
The molecular formula of AB00111997-01 is C20H14N4O3S.
What is the molecular weight of AB00111997-01?
The molecular weight of AB00111997-01 is 390.08 g/mol.
Where can I buy AB00111997-01?
You can request a quote for AB00111997-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111997-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111997-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.