(N-Dansyl)biocytinamidoethyl Methanethiosulfonate
TL;DR: (N-Dansyl)biocytinamidoethyl Methanethiosulfonate (CAS 1041392-69-1) is a chemical compound with molecular formula C31H46N6O7S4 and molecular weight 742.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
Also Known As: (N-Dansyl)biocytinamidoethyl Methanethiosulfonate, 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide, O-Methyl 2-(2-((5-(dimethylamino)naphthalene)-1-sulfonamido)-6-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)ethane-1-sulfonothioate
| Molecular Formula | C31H46N6O7S4 |
|---|---|
| Molecular Weight | 742.23 g/mol |
| LogP | 1.9889 |
| Topological Polar Surface Area | 175.04 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 742.2311 |
| Heavy Atoms | 48 |
| Complexity | 1672.3828 |
Chemical Identifiers
| CAS Number | 1041392-69-1 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NCCS(=O)(=S)OC |
Product Overview
(N-Dansyl)biocytinamidoethyl Methanethiosulfonate (CAS 1041392-69-1), with molecular formula C31H46N6O7S4 and molecular weight 742.23 g/mol. IUPAC: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide.
Chemical Property Profile of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate
Property Insights of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate
The XLogP value of 1.9889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (N-Dansyl)biocytinamidoethyl Methanethiosulfonate. The TPSA of 175.04 Ų indicates high polarity, suggesting (N-Dansyl)biocytinamidoethyl Methanethiosulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (N-Dansyl)biocytinamidoethyl Methanethiosulfonate has 5 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 (N-Dansyl)biocytinamidoethyl Methanethiosulfonate?
The CAS number of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate is 1041392-69-1.
What is the molecular formula of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate?
The molecular formula of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate is C31H46N6O7S4.
What is the molecular weight of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate?
The molecular weight of (N-Dansyl)biocytinamidoethyl Methanethiosulfonate is 742.23 g/mol.
Where can I buy (N-Dansyl)biocytinamidoethyl Methanethiosulfonate?
You can request a quote for (N-Dansyl)biocytinamidoethyl Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N-Dansyl)biocytinamidoethyl Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for (N-Dansyl)biocytinamidoethyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.