Admdnl
TL;DR: Admdnl (CAS 34088-33-0) is a chemical compound with molecular formula C33H38N10O5S and molecular weight 686.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Admdnl
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
Also Known As: Admdnl, Apa-lys-dns, N(alpha)-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N-(epsilon)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)lysine, N-(alpha)-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N-(epsilon)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)lysine, n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n6-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-lysine
| Molecular Formula | C33H38N10O5S |
|---|---|
| Molecular Weight | 686.27 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 686.2747 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 34088-33-0 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)N(C)CC4=CN=C5C(=N4)C(=NC(=N5)N)N |
| InChIKey | NHYGKDYDTKGEIW-VWLOTQADSA-N |
Product Overview
Admdnl (CAS 34088-33-0), with molecular formula C33H38N10O5S and molecular weight 686.27 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid.
Chemical Property Profile of Admdnl
Property Insights of Admdnl
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Admdnl. The TPSA of 231.0 Ų indicates high polarity, suggesting Admdnl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Admdnl has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Admdnl?
The CAS number of Admdnl is 34088-33-0.
What is the molecular formula of Admdnl?
The molecular formula of Admdnl is C33H38N10O5S.
What is the molecular weight of Admdnl?
The molecular weight of Admdnl is 686.27 g/mol.
Where can I buy Admdnl?
You can request a quote for Admdnl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Admdnl?
Yes, KEHONG BIO provides custom synthesis services for Admdnl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.