F0812-0003
TL;DR: F0812-0003 (CAS 397287-94-4) is a chemical compound with molecular formula C23H18N4O3S and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-2-[1-(4-methoxy-2-nitrophenyl)-2,6-dimethyl-4-pyridinylidene]acetonitrile
Also Known As: F0812-0003, 2-(1,3-benzothiazol-2-yl)-2-[1-(4-methoxy-2-nitrophenyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile, 1,3-benzothiazol-2-yl[1-(4-methoxy-2-nitrophenyl)-2,6-dimethylpyridin-4(1H)-ylidene]acetonitrile, 2-(1,3-BENZOTHIAZOL-2-YL)-2-[1-(4-METHOXY-2-NITROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDIN-4-YLIDENE]ACETONITRILE, 2-(benzo[d]thiazol-2-yl)-2-(1-(4-methoxy-2-nitrophenyl)-2,6-dimethylpyridin-4(1H)-ylidene)acetonitrile
| Molecular Formula | C23H18N4O3S |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 5.81808 |
| Topological Polar Surface Area | 92.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.10995 |
| Heavy Atoms | 31 |
| Complexity | 1289.3506 |
Chemical Identifiers
| CAS Number | 397287-94-4 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=C(C=C(C=C4)OC)[N+](=O)[O-])C |
Product Overview
F0812-0003 (CAS 397287-94-4), with molecular formula C23H18N4O3S and molecular weight 430.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-methoxy-2-nitrophenyl)-2,6-dimethyl-4-pyridinylidene]acetonitrile.
Chemical Property Profile of F0812-0003
Property Insights of F0812-0003
The XLogP value of 5.81808 indicates that F0812-0003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0812-0003. Following Lipinski's Rule of Five, F0812-0003 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0812-0003?
The CAS number of F0812-0003 is 397287-94-4.
What is the molecular formula of F0812-0003?
The molecular formula of F0812-0003 is C23H18N4O3S.
What is the molecular weight of F0812-0003?
The molecular weight of F0812-0003 is 430.11 g/mol.
Where can I buy F0812-0003?
You can request a quote for F0812-0003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0812-0003?
Yes, KEHONG BIO provides custom synthesis services for F0812-0003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.