F1366-1036
TL;DR: F1366-1036 (CAS 6278-16-6) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[4-(diethylamino)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-1036, Methyl 2-[2-(4-diethylaminobenzoyl)imino-6-nitro-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((4-(diethylamino)benzoyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[2-[4-(diethylamino)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C21H22N4O5S |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 3.3713 |
| Topological Polar Surface Area | 107.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1311 |
| Heavy Atoms | 31 |
| Complexity | 1192.6957 |
Chemical Identifiers
| CAS Number | 6278-16-6 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC |
Product Overview
F1366-1036 (CAS 6278-16-6), with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol. IUPAC: methyl 2-[2-[4-(diethylamino)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of F1366-1036
Property Insights of F1366-1036
The XLogP value of 3.3713 indicates that F1366-1036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F1366-1036. Following Lipinski's Rule of Five, F1366-1036 has 0 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 F1366-1036?
The CAS number of F1366-1036 is 6278-16-6.
What is the molecular formula of F1366-1036?
The molecular formula of F1366-1036 is C21H22N4O5S.
What is the molecular weight of F1366-1036?
The molecular weight of F1366-1036 is 442.13 g/mol.
Where can I buy F1366-1036?
You can request a quote for F1366-1036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1366-1036?
Yes, KEHONG BIO provides custom synthesis services for F1366-1036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.