AB00685924-01
TL;DR: AB00685924-01 (CAS 864976-43-2) is a chemical compound with molecular formula C15H12FN3O4S2 and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide
Also Known As: AB00685924-01, F1359-0827, (Z)-N-(6-fluoro-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-5-nitrothiophene-2-carboxamide, N-[(2Z)-6-fluoro-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide, N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide
| Molecular Formula | C15H12FN3O4S2 |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 3.1991 |
| Topological Polar Surface Area | 86.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.02533 |
| Heavy Atoms | 25 |
| Complexity | 1021.3753 |
Chemical Identifiers
| CAS Number | 864976-43-2 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
AB00685924-01 (CAS 864976-43-2), with molecular formula C15H12FN3O4S2 and molecular weight 381.03 g/mol. IUPAC: N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of AB00685924-01
Property Insights of AB00685924-01
The XLogP value of 3.1991 indicates that AB00685924-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685924-01. Following Lipinski's Rule of Five, AB00685924-01 has 0 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 AB00685924-01?
The CAS number of AB00685924-01 is 864976-43-2.
What is the molecular formula of AB00685924-01?
The molecular formula of AB00685924-01 is C15H12FN3O4S2.
What is the molecular weight of AB00685924-01?
The molecular weight of AB00685924-01 is 381.03 g/mol.
Where can I buy AB00685924-01?
You can request a quote for AB00685924-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685924-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685924-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.