3fnu
TL;DR: 3fnu (CAS 461444-55-3) is a chemical compound with molecular formula C35H41N3O6S and molecular weight 631.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: 3fnu, 3kdb, 3qs1, J1.939.955I, (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide
| Molecular Formula | C35H41N3O6S |
|---|---|
| Molecular Weight | 631.27 g/mol |
| LogP | 3.22524 |
| Topological Polar Surface Area | 128.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.2716 |
| Heavy Atoms | 45 |
| Complexity | 1527.0917 |
Chemical Identifiers
| CAS Number | 461444-55-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)(C)C)O |
Product Overview
3fnu (CAS 461444-55-3), with molecular formula C35H41N3O6S and molecular weight 631.27 g/mol. IUPAC: (4R)-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
Chemical Property Profile of 3fnu
Property Insights of 3fnu
The XLogP value of 3.22524 indicates that 3fnu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3fnu. Following Lipinski's Rule of Five, 3fnu 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 3fnu?
The CAS number of 3fnu is 461444-55-3.
What is the molecular formula of 3fnu?
The molecular formula of 3fnu is C35H41N3O6S.
What is the molecular weight of 3fnu?
The molecular weight of 3fnu is 631.27 g/mol.
Where can I buy 3fnu?
You can request a quote for 3fnu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3fnu?
Yes, KEHONG BIO provides custom synthesis services for 3fnu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.