AB00040513-01
TL;DR: AB00040513-01 (CAS 4004-75-5) is a chemical compound with molecular formula C23H26F3N5O6S and molecular weight 557.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide
Also Known As: AB00040513-01, N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide, N-[2-(4-Methylbenzene-1-sulfonamido)ethyl]-4-[3-nitro-5-(trifluoromethyl)benzamido]piperidine-4-carboxamide
| Molecular Formula | C23H26F3N5O6S |
|---|---|
| Molecular Weight | 557.16 g/mol |
| LogP | 1.86872 |
| Topological Polar Surface Area | 159.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.1556 |
| Heavy Atoms | 38 |
| Complexity | 1309.8137 |
Chemical Identifiers
| CAS Number | 4004-75-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
AB00040513-01 (CAS 4004-75-5), with molecular formula C23H26F3N5O6S and molecular weight 557.16 g/mol. IUPAC: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide.
Chemical Property Profile of AB00040513-01
Property Insights of AB00040513-01
The XLogP value of 1.86872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00040513-01. The TPSA of 159.54 Ų indicates high polarity, suggesting AB00040513-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00040513-01 has 4 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 AB00040513-01?
The CAS number of AB00040513-01 is 4004-75-5.
What is the molecular formula of AB00040513-01?
The molecular formula of AB00040513-01 is C23H26F3N5O6S.
What is the molecular weight of AB00040513-01?
The molecular weight of AB00040513-01 is 557.16 g/mol.
Where can I buy AB00040513-01?
You can request a quote for AB00040513-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00040513-01?
Yes, KEHONG BIO provides custom synthesis services for AB00040513-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.