12H-305S
TL;DR: 12H-305S (CAS 306977-55-9) is a chemical compound with molecular formula C19H13FN2O6S and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]amino]benzoate
Also Known As: 12H-305S, methyl 2-({[3-(4-fluoro-2-nitrophenoxy)-2-thienyl]carbonyl}amino)benzenecarboxylate, methyl 2-[[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]amino]benzoate, methyl 2-[3-(4-fluoro-2-nitrophenoxy)thiophene-2-amido]benzoate, methyl2-[3-(4-fluoro-2-nitrophenoxy)thiophene-2-amido]benzoate
| Molecular Formula | C19H13FN2O6S |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 4.6266 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.04782 |
| Heavy Atoms | 29 |
| Complexity | 1097.8083 |
Chemical Identifiers
| CAS Number | 306977-55-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CS2)OC3=C(C=C(C=C3)F)[N+](=O)[O-] |
Product Overview
12H-305S (CAS 306977-55-9), with molecular formula C19H13FN2O6S and molecular weight 416.05 g/mol. IUPAC: methyl 2-[[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]amino]benzoate.
Chemical Property Profile of 12H-305S
Property Insights of 12H-305S
The XLogP value of 4.6266 indicates that 12H-305S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-305S. Following Lipinski's Rule of Five, 12H-305S 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 12H-305S?
The CAS number of 12H-305S is 306977-55-9.
What is the molecular formula of 12H-305S?
The molecular formula of 12H-305S is C19H13FN2O6S.
What is the molecular weight of 12H-305S?
The molecular weight of 12H-305S is 416.05 g/mol.
Where can I buy 12H-305S?
You can request a quote for 12H-305S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-305S?
Yes, KEHONG BIO provides custom synthesis services for 12H-305S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.