AB00685160-01
TL;DR: AB00685160-01 (CAS 377052-68-1) is a chemical compound with molecular formula C19H12N4O4S and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00685160-01, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, F0760-2238, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H12N4O4S |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 4.42358 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.05792 |
| Heavy Atoms | 28 |
| Complexity | 1115.7075 |
Chemical Identifiers
| CAS Number | 377052-68-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00685160-01 (CAS 377052-68-1), with molecular formula C19H12N4O4S and molecular weight 392.06 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00685160-01
Property Insights of AB00685160-01
The XLogP value of 4.42358 indicates that AB00685160-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685160-01. Following Lipinski's Rule of Five, AB00685160-01 has 1 hydrogen bond donor(s) and 8 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 AB00685160-01?
The CAS number of AB00685160-01 is 377052-68-1.
What is the molecular formula of AB00685160-01?
The molecular formula of AB00685160-01 is C19H12N4O4S.
What is the molecular weight of AB00685160-01?
The molecular weight of AB00685160-01 is 392.06 g/mol.
Where can I buy AB00685160-01?
You can request a quote for AB00685160-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685160-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685160-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.