F1113-0314
TL;DR: F1113-0314 (CAS 442553-72-2) is a chemical compound with molecular formula C27H28N2O7S2 and molecular weight 556.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-methyl-1-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]indole-3-carboxylate
Also Known As: F1113-0314, 2-methoxyethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(4-methylbenzenesulfonyl)-1H-indole-3-carboxylate, 2-methoxyethyl 2-methyl-1-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]indole-3-carboxylate, 2-methoxyethyl 2-methyl-1-tosyl-5-(tosylamino)-3-indolecarboxylate, 2-methoxyethyl 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-{[(4-methylphenyl)sulfonyl]amino}-1H-indole-3-carboxylate
| Molecular Formula | C27H28N2O7S2 |
|---|---|
| Molecular Weight | 556.13 g/mol |
| LogP | 4.40756 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 556.1338 |
| Heavy Atoms | 38 |
| Complexity | 1706.0679 |
Chemical Identifiers
| CAS Number | 442553-72-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=C3C(=O)OCCOC)C)S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
F1113-0314 (CAS 442553-72-2), with molecular formula C27H28N2O7S2 and molecular weight 556.13 g/mol. IUPAC: 2-methoxyethyl 2-methyl-1-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]indole-3-carboxylate.
Chemical Property Profile of F1113-0314
Property Insights of F1113-0314
The XLogP value of 4.40756 indicates that F1113-0314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for F1113-0314. Following Lipinski's Rule of Five, F1113-0314 has 1 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 F1113-0314?
The CAS number of F1113-0314 is 442553-72-2.
What is the molecular formula of F1113-0314?
The molecular formula of F1113-0314 is C27H28N2O7S2.
What is the molecular weight of F1113-0314?
The molecular weight of F1113-0314 is 556.13 g/mol.
Where can I buy F1113-0314?
You can request a quote for F1113-0314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1113-0314?
Yes, KEHONG BIO provides custom synthesis services for F1113-0314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.