Aba-nat
TL;DR: Aba-nat (CAS 39927-13-4) is a chemical compound with molecular formula C17H18AsN3O7 and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]propanoic acid
Also Known As: Aba-nat, ABA-Tyr, ABA-L-tyrosine, ABA-L-Tyr, Epitope ID:115578
| Molecular Formula | C17H18AsN3O7 |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 0.5004 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.03607 |
| Heavy Atoms | 28 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 39927-13-4 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)[As](=O)(O)O)C(=O)O |
| InChIKey | JOEPQBSJSKBHBS-HNNXBMFYSA-N |
Product Overview
Aba-nat (CAS 39927-13-4), with molecular formula C17H18AsN3O7 and molecular weight 451.04 g/mol. IUPAC: (2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]propanoic acid.
Chemical Property Profile of Aba-nat
Property Insights of Aba-nat
The XLogP value of 0.5004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aba-nat. The TPSA of 169.0 Ų indicates high polarity, suggesting Aba-nat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aba-nat has 5 hydrogen bond donor(s) and 9 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 Aba-nat?
The CAS number of Aba-nat is 39927-13-4.
What is the molecular formula of Aba-nat?
The molecular formula of Aba-nat is C17H18AsN3O7.
What is the molecular weight of Aba-nat?
The molecular weight of Aba-nat is 451.04 g/mol.
Where can I buy Aba-nat?
You can request a quote for Aba-nat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aba-nat?
Yes, KEHONG BIO provides custom synthesis services for Aba-nat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.