Dabcyl-ice-edans
TL;DR: Dabcyl-ice-edans (CAS 161877-70-9) is a chemical compound with molecular formula C61H76N12O14S and molecular weight 1232.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butanoyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Dabcyl-ice-edans, Dabcyl-tyr-val-ala-asp-ala-pro-val-edans, (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butanoyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid, 4-(4'-Dimethylaminophenylazo)benzoyl-tyrosyl-valyl-alanyl-aspartyl-alanyl-prolyl-valyl-5((2-aminoethyl)amino)naphthalene-1-sulfonic acid, L-Valinamide, N-(4-((4-(dimethylamino)phenyl)azo)benzoyl)-L-tyrosyl-L-valyl-L-alanyl-L-alpha-aspartyl-L-alanyl-L-prolyl-N-(2-((5-sulfo-1-naphthalenyl)amino)ethyl)-
| Molecular Formula | C61H76N12O14S |
|---|---|
| Molecular Weight | 1232.53 g/mol |
| LogP | 4.0844 |
| Topological Polar Surface Area | 375.9 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 28 |
| Exact Mass | 1232.5325 |
| Heavy Atoms | 88 |
| Complexity | 3491.7322 |
Chemical Identifiers
| CAS Number | 161877-70-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H](C(C)C)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)N(C)C |
Product Overview
Dabcyl-ice-edans (CAS 161877-70-9), with molecular formula C61H76N12O14S and molecular weight 1232.53 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butanoyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Dabcyl-ice-edans
Property Insights of Dabcyl-ice-edans
The XLogP value of 4.0844 indicates that Dabcyl-ice-edans is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 375.9 Ų indicates high polarity, suggesting Dabcyl-ice-edans may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dabcyl-ice-edans has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dabcyl-ice-edans?
The CAS number of Dabcyl-ice-edans is 161877-70-9.
What is the molecular formula of Dabcyl-ice-edans?
The molecular formula of Dabcyl-ice-edans is C61H76N12O14S.
What is the molecular weight of Dabcyl-ice-edans?
The molecular weight of Dabcyl-ice-edans is 1232.53 g/mol.
Where can I buy Dabcyl-ice-edans?
You can request a quote for Dabcyl-ice-edans directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dabcyl-ice-edans?
Yes, KEHONG BIO provides custom synthesis services for Dabcyl-ice-edans and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.