AB00111251-01
TL;DR: AB00111251-01 (CAS 429644-10-0) is a chemical compound with molecular formula C19H15N3O4S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
Also Known As: AB00111251-01, N-[4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)phenyl]furan-2-carboxamide, N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
| Molecular Formula | C19H15N3O4S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 3.6513 |
| Topological Polar Surface Area | 96.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.07834 |
| Heavy Atoms | 27 |
| Complexity | 945.5283 |
Chemical Identifiers
| CAS Number | 429644-10-0 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 |
Product Overview
AB00111251-01 (CAS 429644-10-0), with molecular formula C19H15N3O4S and molecular weight 381.08 g/mol. IUPAC: N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide.
Chemical Property Profile of AB00111251-01
Property Insights of AB00111251-01
The XLogP value of 3.6513 indicates that AB00111251-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111251-01. Following Lipinski's Rule of Five, AB00111251-01 has 3 hydrogen bond donor(s) and 5 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 AB00111251-01?
The CAS number of AB00111251-01 is 429644-10-0.
What is the molecular formula of AB00111251-01?
The molecular formula of AB00111251-01 is C19H15N3O4S.
What is the molecular weight of AB00111251-01?
The molecular weight of AB00111251-01 is 381.08 g/mol.
Where can I buy AB00111251-01?
You can request a quote for AB00111251-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111251-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111251-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.