Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester
TL;DR: Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester (CAS 54805-65-1) is a chemical compound with molecular formula C9H16N3O5P and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[bis(aziridin-1-yl)phosphoryl-ethoxycarbonylamino] acetate
Also Known As: Carbamic acid, ethyl ester, AB 181, [bis(aziridin-1-yl)phosphoryl-ethoxycarbonylamino] acetate, CARBAMIC ACID, ACETOXY(BIS(1-AZIRIDINYL)PHOSPHINYL)-, ETHYL ESTER, 5-20-01-00126 (Beilstein Handbook Reference)
| Molecular Formula | C9H16N3O5P |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.08276 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 54805-65-1 |
|---|---|
| SMILES | CCOC(=O)N(OC(=O)C)P(=O)(N1CC1)N2CC2 |
| InChIKey | IATZQORMMQOVAJ-UHFFFAOYSA-N |
Product Overview
Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester (CAS 54805-65-1), with molecular formula C9H16N3O5P and molecular weight 277.08 g/mol. IUPAC: [bis(aziridin-1-yl)phosphoryl-ethoxycarbonylamino] acetate.
Chemical Property Profile of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester
Property Insights of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester
The XLogP value of -0.1 indicates that Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester has 0 hydrogen bond donor(s) and 7 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 Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester?
The CAS number of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester is 54805-65-1.
What is the molecular formula of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester?
The molecular formula of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester is C9H16N3O5P.
What is the molecular weight of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester?
The molecular weight of Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester is 277.08 g/mol.
Where can I buy Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester?
You can request a quote for Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, acetoxy(bis(1-aziridinyl)phosphinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.