AB00104976-01
TL;DR: AB00104976-01 (CAS 361183-33-7) is a chemical compound with molecular formula C17H10FN3O5S and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
Also Known As: AB00104976-01, 3-(4-Fluorophenyl)-2-imino-5-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)thiazolidin-4-one, (5Z)-3-(4-FLUOROPHENYL)-2-IMINO-5-[(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-(4-fluorophenyl)-2-imino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
| Molecular Formula | C17H10FN3O5S |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 3.51827 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.03253 |
| Heavy Atoms | 27 |
| Complexity | 1021.9741 |
Chemical Identifiers
| CAS Number | 361183-33-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)N(C(=N)S3)C4=CC=C(C=C4)F)[N+](=O)[O-] |
Product Overview
AB00104976-01 (CAS 361183-33-7), with molecular formula C17H10FN3O5S and molecular weight 387.03 g/mol. IUPAC: (5Z)-3-(4-fluorophenyl)-2-imino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00104976-01
Property Insights of AB00104976-01
The XLogP value of 3.51827 indicates that AB00104976-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104976-01. Following Lipinski's Rule of Five, AB00104976-01 has 1 hydrogen bond donor(s) and 7 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 AB00104976-01?
The CAS number of AB00104976-01 is 361183-33-7.
What is the molecular formula of AB00104976-01?
The molecular formula of AB00104976-01 is C17H10FN3O5S.
What is the molecular weight of AB00104976-01?
The molecular weight of AB00104976-01 is 387.03 g/mol.
Where can I buy AB00104976-01?
You can request a quote for AB00104976-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104976-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104976-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.