Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate
TL;DR: Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate (CAS 3790-24-7) is a chemical compound with molecular formula C9H19N2OPS and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-λ5-phosphane
Also Known As: Phosphinothioic acid, O-isopentyl ester, Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate, O-isopentyl di(aziridin-1-yl)phosphinothioate, bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-, O-(3-Methylbutyl) bis(aziridin-1-yl)phosphinothioate
| Molecular Formula | C9H19N2OPS |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.09557 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 3790-24-7 |
|---|---|
| SMILES | CC(C)CCOP(=S)(N1CC1)N2CC2 |
| InChIKey | YLPWIORJGRKARC-UHFFFAOYSA-N |
Product Overview
Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate (CAS 3790-24-7), with molecular formula C9H19N2OPS and molecular weight 234.10 g/mol. IUPAC: bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate
Property Insights of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate. With a topological polar surface area (TPSA) of 47.3 Ų, Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate has 0 hydrogen bond donor(s) and 4 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 Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate?
The CAS number of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate is 3790-24-7.
What is the molecular formula of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate?
The molecular formula of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate is C9H19N2OPS.
What is the molecular weight of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate?
The molecular weight of Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate is 234.10 g/mol.
Where can I buy Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate?
You can request a quote for Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.