1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester
TL;DR: 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester (CAS 5448-80-6) is a chemical compound with molecular formula C25H27N3O4S and molecular weight 465.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoate
Also Known As: Dns-D-trpoet, 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester, ethyl n-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-d-tryptophanate, D-Tryptophan, N-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-, ethyl ester, ethyl (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C25H27N3O4S |
|---|---|
| Molecular Weight | 465.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.17224 |
| Heavy Atoms | 33 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 5448-80-6 |
|---|---|
| SMILES | CCOC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C |
| InChIKey | UKYBNRUEDNIMRV-JOCHJYFZSA-N |
Product Overview
1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester (CAS 5448-80-6), with molecular formula C25H27N3O4S and molecular weight 465.17 g/mol. IUPAC: ethyl (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester
Property Insights of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester
The XLogP value of 4.7 indicates that 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester. Following Lipinski's Rule of Five, 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester?
The CAS number of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester is 5448-80-6.
What is the molecular formula of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester?
The molecular formula of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester is C25H27N3O4S.
What is the molecular weight of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester?
The molecular weight of 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester is 465.17 g/mol.
Where can I buy 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester?
You can request a quote for 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Dimethylaminonaphthalene-5-sulfonyl-D-tryptophan ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.