A2730/0115886
TL;DR: A2730/0115886 (CAS 448188-70-3) is a chemical compound with molecular formula C13H11F3N4O5S and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate
Also Known As: A2730/0115886, methyl 2-acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate, 2-Acetylamino-3,3,3-trifluoro-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester, methyl 2-(acetylamino)-3,3,3-trifluoro-2-({6-nitro-1,3-benzothiazol-2-yl}amino)propanoate, methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-nitrobenzothiazol-2-yl)amino]prop anoate
| Molecular Formula | C13H11F3N4O5S |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.04022 |
| Heavy Atoms | 26 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 448188-70-3 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SNELLIBMYLTTDE-UHFFFAOYSA-N |
Product Overview
A2730/0115886 (CAS 448188-70-3), with molecular formula C13H11F3N4O5S and molecular weight 392.04 g/mol. IUPAC: methyl 2-acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate.
Chemical Property Profile of A2730/0115886
Property Insights of A2730/0115886
The XLogP value of 3.4 indicates that A2730/0115886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting A2730/0115886 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2730/0115886 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2730/0115886?
The CAS number of A2730/0115886 is 448188-70-3.
What is the molecular formula of A2730/0115886?
The molecular formula of A2730/0115886 is C13H11F3N4O5S.
What is the molecular weight of A2730/0115886?
The molecular weight of A2730/0115886 is 392.04 g/mol.
Where can I buy A2730/0115886?
You can request a quote for A2730/0115886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2730/0115886?
Yes, KEHONG BIO provides custom synthesis services for A2730/0115886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.