2f6z
TL;DR: 2f6z (CAS 875662-69-4) is a chemical compound with molecular formula C20H24N4O8S2 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]phenyl]sulfamic acid
Also Known As: 2f6z, Tetrahydroisoquinoline (TIQ) deriv. 10i, {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID, Sulfamic acid,N-[3-[3-[(3S)-3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]-, UN5
| Molecular Formula | C20H24N4O8S2 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 0.7481 |
| Topological Polar Surface Area | 182.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1036 |
| Heavy Atoms | 34 |
| Complexity | 1311.6036 |
Chemical Identifiers
| CAS Number | 875662-69-4 |
|---|---|
| SMILES | CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)NS(=O)(=O)O)C=C(C=C2)NS(=O)(=O)O |
Product Overview
2f6z (CAS 875662-69-4), with molecular formula C20H24N4O8S2 and molecular weight 512.10 g/mol. IUPAC: [3-[3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]phenyl]sulfamic acid.
Chemical Property Profile of 2f6z
Property Insights of 2f6z
The XLogP value of 0.7481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2f6z. The TPSA of 182.21 Ų indicates high polarity, suggesting 2f6z may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2f6z has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2f6z?
The CAS number of 2f6z is 875662-69-4.
What is the molecular formula of 2f6z?
The molecular formula of 2f6z is C20H24N4O8S2.
What is the molecular weight of 2f6z?
The molecular weight of 2f6z is 512.10 g/mol.
Where can I buy 2f6z?
You can request a quote for 2f6z directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2f6z?
Yes, KEHONG BIO provides custom synthesis services for 2f6z and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.