![Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate structure](/static/products/6007/60079-22-3.webp)
Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate
TL;DR: Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate (CAS 60079-22-3) is a chemical compound with molecular formula C14H20N3O3P and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate
Also Known As: NCIOpen2_008422, Benzenepropanoic acid, methyl ester, methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate, Benzenepropanoic acid,4-[[bis(1-aziridinyl)phosphinyl]amino]-, methyl ester, Methyl 3-(4-((di(aziridin-1-yl)phosphoryl)amino)phenyl)propanoate
| Molecular Formula | C14H20N3O3P |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.12424 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 60079-22-3 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)NP(=O)(N2CC2)N3CC3 |
| InChIKey | URCNTZFQUZVHPE-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate (CAS 60079-22-3), with molecular formula C14H20N3O3P and molecular weight 309.12 g/mol. IUPAC: methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate.
Chemical Property Profile of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate
Property Insights of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate?
The CAS number of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate is 60079-22-3.
What is the molecular formula of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate?
The molecular formula of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate is C14H20N3O3P.
What is the molecular weight of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate?
The molecular weight of Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate is 309.12 g/mol.
Where can I buy Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate?
You can request a quote for Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.