AB00112021-01
TL;DR: AB00112021-01 (CAS 429653-33-8) is a chemical compound with molecular formula C21H16N4O3S and molecular weight 404.09 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-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide
Also Known As: AB00112021-01, (2E)-3-(furan-2-yl)-N-{[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}prop-2-enamide, (E)-3-(furan-2-yl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide
| Molecular Formula | C21H16N4O3S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.31762 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0943 |
| Heavy Atoms | 29 |
| Complexity | 1178.8871 |
Chemical Identifiers
| CAS Number | 429653-33-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)/C=C/C4=CC=CO4 |
Product Overview
AB00112021-01 (CAS 429653-33-8), with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol. IUPAC: (E)-3-(furan-2-yl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of AB00112021-01
Property Insights of AB00112021-01
The XLogP value of 4.31762 indicates that AB00112021-01 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 AB00112021-01. Following Lipinski's Rule of Five, AB00112021-01 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 AB00112021-01?
The CAS number of AB00112021-01 is 429653-33-8.
What is the molecular formula of AB00112021-01?
The molecular formula of AB00112021-01 is C21H16N4O3S.
What is the molecular weight of AB00112021-01?
The molecular weight of AB00112021-01 is 404.09 g/mol.
Where can I buy AB00112021-01?
You can request a quote for AB00112021-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112021-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112021-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.