Dansylarginine methyl ester
TL;DR: Dansylarginine methyl ester (CAS 6338-56-3) is a chemical compound with molecular formula C19H29Cl2N5O4S and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-5-(diaminomethylideneamino)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoate;dihydrochloride
Also Known As: Dansylarginine methyl ester, Dansyl-D-arginine methyl ester, N(2)-((5-(Dimethylamino)-1-naphthalenyl)sulfonyl)-L-arginine methyl ester dihydrochloride, methyl n5-(diaminomethylidene)-n2-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-ornithinate dihydrochloride, Methyl N~2~-[5-(dimethylamino)naphthalene-1-sulfonyl]argininate--hydrogen chloride (1/2)
| Molecular Formula | C19H29Cl2N5O4S |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 1.6229 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 493.13174 |
| Heavy Atoms | 31 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 6338-56-3 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OC.Cl.Cl |
| InChIKey | WBWHNIFOKSPDIW-CKUXDGONSA-N |
Product Overview
Dansylarginine methyl ester (CAS 6338-56-3), with molecular formula C19H29Cl2N5O4S and molecular weight 493.13 g/mol. IUPAC: methyl (2S)-5-(diaminomethylideneamino)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoate;dihydrochloride.
Chemical Property Profile of Dansylarginine methyl ester
Property Insights of Dansylarginine methyl ester
The XLogP value of 1.6229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dansylarginine methyl ester. The TPSA of 148.0 Ų indicates high polarity, suggesting Dansylarginine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dansylarginine methyl ester has 5 hydrogen bond donor(s) and 7 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 Dansylarginine methyl ester?
The CAS number of Dansylarginine methyl ester is 6338-56-3.
What is the molecular formula of Dansylarginine methyl ester?
The molecular formula of Dansylarginine methyl ester is C19H29Cl2N5O4S.
What is the molecular weight of Dansylarginine methyl ester?
The molecular weight of Dansylarginine methyl ester is 493.13 g/mol.
Where can I buy Dansylarginine methyl ester?
You can request a quote for Dansylarginine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dansylarginine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dansylarginine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.