AI 3-61581
TL;DR: AI 3-61581 (CAS 91003-15-5) is a chemical compound with molecular formula C6H14N3PS and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(aziridin-1-yl)phosphinothioyl]ethanamine
Also Known As: AI3-61581, Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-ethyl-, N-[bis(aziridin-1-yl)phosphinothioyl]ethanamine, AI 3-61581, AI-3-61581
| Molecular Formula | C6H14N3PS |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.0646 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 91003-15-5 |
|---|---|
| SMILES | CCNP(=S)(N1CC1)N2CC2 |
| InChIKey | VXLQTYBQFSUXLA-UHFFFAOYSA-N |
Product Overview
AI 3-61581 (CAS 91003-15-5), with molecular formula C6H14N3PS and molecular weight 191.06 g/mol. IUPAC: N-[bis(aziridin-1-yl)phosphinothioyl]ethanamine.
Chemical Property Profile of AI 3-61581
Property Insights of AI 3-61581
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI 3-61581. With a topological polar surface area (TPSA) of 50.1 Ų, AI 3-61581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI 3-61581 has 1 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 AI 3-61581?
The CAS number of AI 3-61581 is 91003-15-5.
What is the molecular formula of AI 3-61581?
The molecular formula of AI 3-61581 is C6H14N3PS.
What is the molecular weight of AI 3-61581?
The molecular weight of AI 3-61581 is 191.06 g/mol.
Where can I buy AI 3-61581?
You can request a quote for AI 3-61581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-61581?
Yes, KEHONG BIO provides custom synthesis services for AI 3-61581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.