8-氨基-8-氧代-2-辛烯-4,6-二炔酸
TL;DR: 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 (CAS 544-04-7) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氨基-8-氧代-2-辛烯-4,6-二炔酸
8-amino-8-oxooct-2-en-4,6-diynoic acid
Also Known As: 8-Amino-8-oxo-2-octene-4,6-diynoic acid, 8-amino-8-oxooct-2-en-4,6-diynoic acid, 8-Amino-8-oxooct-2-ene-4,6-diynoic acid, RefChem:106899
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 544-04-7 |
|---|---|
| SMILES | C(=CC(=O)O)C#CC#CC(=O)N |
| InChIKey | OCJRAKXVNGISKJ-UHFFFAOYSA-N |
Product Overview
8-氨基-8-氧代-2-辛烯-4,6-二炔酸 (CAS 544-04-7), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 8-amino-8-oxooct-2-en-4,6-diynoic acid.
Chemical Property Profile of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸
Property Insights of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-氨基-8-氧代-2-辛烯-4,6-二炔酸. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-氨基-8-氧代-2-辛烯-4,6-二炔酸. Following Lipinski's Rule of Five, 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 has 2 hydrogen bond donor(s) and 3 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 8-氨基-8-氧代-2-辛烯-4,6-二炔酸?
The CAS number of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 is 544-04-7.
What is the molecular formula of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸?
The molecular formula of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 is C8H5NO3.
What is the molecular weight of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸?
The molecular weight of 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 is 163.03 g/mol.
Where can I buy 8-氨基-8-氧代-2-辛烯-4,6-二炔酸?
You can request a quote for 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氨基-8-氧代-2-辛烯-4,6-二炔酸?
Yes, KEHONG BIO provides custom synthesis services for 8-氨基-8-氧代-2-辛烯-4,6-二炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.