1-Carboxyallenyl phosphate
TL;DR: 1-Carboxyallenyl phosphate (CAS 112683-56-4) is a chemical compound with molecular formula C10H18NO6P and molecular weight 279.0872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexanamine;2-phosphonooxybuta-2,3-dienoic acid
Also Known As: 1-Carboxyallenyl phosphate, 2-(phosphonooxy)buta-2,3-dienoic acid- cyclohexanamine(1:1), cyclohexanamine; 2-phosphonooxybuta-2,3-dienoic acid
Technical Specifications
| Molecular Formula | C10H18NO6P |
| Molecular Weight | 279.0872 g/mol |
| XLogP | 1.1269 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0872 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | C=C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)N |
| InChIKey | KSEBTFLXQXUIRM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Carboxyallenyl phosphate
Property Insights of 1-Carboxyallenyl phosphate
The XLogP value of 1.1269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxyallenyl phosphate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carboxyallenyl phosphate. Following Lipinski's Rule of Five, 1-Carboxyallenyl phosphate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Carboxyallenyl phosphate?
The CAS number of 1-Carboxyallenyl phosphate is 112683-56-4.
What is the molecular formula of 1-Carboxyallenyl phosphate?
The molecular formula of 1-Carboxyallenyl phosphate is C10H18NO6P.
What is the molecular weight of 1-Carboxyallenyl phosphate?
The molecular weight of 1-Carboxyallenyl phosphate is 279.0872 g/mol.
Where can I buy 1-Carboxyallenyl phosphate?
You can request a quote for 1-Carboxyallenyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Carboxyallenyl phosphate?
Yes, CoreyChem provides custom synthesis services for 1-Carboxyallenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.