APA-Orn-DNS
TL;DR: APA-Orn-DNS (CAS 34086-60-7) is a chemical compound with molecular formula C32H36N10O5S and molecular weight 672.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
Also Known As: Apa-orn-dns, Jmc 181, N-alpha-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine, n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n5-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-ornithine, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
| Molecular Formula | C32H36N10O5S |
|---|---|
| Molecular Weight | 672.26 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 672.2591 |
| Heavy Atoms | 48 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 34086-60-7 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCC[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)N(C)CC4=CN=C5C(=N4)C(=NC(=N5)N)N |
| InChIKey | SJVMDYMKTVEZEE-DEOSSOPVSA-N |
Product Overview
APA-Orn-DNS (CAS 34086-60-7), with molecular formula C32H36N10O5S and molecular weight 672.26 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid.
Chemical Property Profile of APA-Orn-DNS
Property Insights of APA-Orn-DNS
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for APA-Orn-DNS. The TPSA of 231.0 Ų indicates high polarity, suggesting APA-Orn-DNS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, APA-Orn-DNS 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 APA-Orn-DNS?
The CAS number of APA-Orn-DNS is 34086-60-7.
What is the molecular formula of APA-Orn-DNS?
The molecular formula of APA-Orn-DNS is C32H36N10O5S.
What is the molecular weight of APA-Orn-DNS?
The molecular weight of APA-Orn-DNS is 672.26 g/mol.
Where can I buy APA-Orn-DNS?
You can request a quote for APA-Orn-DNS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for APA-Orn-DNS?
Yes, KEHONG BIO provides custom synthesis services for APA-Orn-DNS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.