Nki 35120
TL;DR: Nki 35120 (CAS 13329-18-5) is a chemical compound with molecular formula C34H36N2O9S and molecular weight 648.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[ethoxycarbonyl-[2-(4-phenoxyphenoxy)ethyl]sulfinamoyl]-N-[2-(4-phenoxyphenoxy)ethyl]carbamate
Also Known As: Nki 35120, 6-Oxa-3-thia-2,4-diazaoctanoic acid, 5-oxo-2,4-bis(2-(4-phenoxyphenoxy)ethyl)-, ethyl ester, 3-oxide, diethyl sulfinylbis{[2-(4-phenoxyphenoxy)ethyl]carbamate}, 6-Oxa-3-thia-2,4-diazaoctanoicacid, 5-oxo-2,4-bis[2-(4-phenoxyphenoxy)ethyl]-, ethyl ester, 3-oxide (9CI), Carbamic acid, N,N'-sulfinylbis[N-[2-(4-phenoxyphenoxy)ethyl]-, ethyl ethyl ester
| Molecular Formula | C34H36N2O9S |
|---|---|
| Molecular Weight | 648.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 648.2142 |
| Heavy Atoms | 46 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 13329-18-5 |
|---|---|
| SMILES | CCOC(=O)N(CCOC1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)N(CCOC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OCC |
| InChIKey | HCURRXLEKQOBKA-UHFFFAOYSA-N |
Product Overview
Nki 35120 (CAS 13329-18-5), with molecular formula C34H36N2O9S and molecular weight 648.21 g/mol. IUPAC: ethyl N-[ethoxycarbonyl-[2-(4-phenoxyphenoxy)ethyl]sulfinamoyl]-N-[2-(4-phenoxyphenoxy)ethyl]carbamate.
Chemical Property Profile of Nki 35120
Property Insights of Nki 35120
The XLogP value of 6.9 indicates that Nki 35120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nki 35120. Following Lipinski's Rule of Five, Nki 35120 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nki 35120?
The CAS number of Nki 35120 is 13329-18-5.
What is the molecular formula of Nki 35120?
The molecular formula of Nki 35120 is C34H36N2O9S.
What is the molecular weight of Nki 35120?
The molecular weight of Nki 35120 is 648.21 g/mol.
Where can I buy Nki 35120?
You can request a quote for Nki 35120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nki 35120?
Yes, KEHONG BIO provides custom synthesis services for Nki 35120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.