4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate
TL;DR: 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate (CAS 53948-50-8) is a chemical compound with molecular formula C12H25Cl2N2O3P and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino-(diethylamino)phosphoryl]oxybutanal
Also Known As: 4-[bis(2-chloroethyl)amino-(diethylamino)phosphoryl]oxybutanal, 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate, 4-[bis(2-chloroethyl)amino-diethylamino-phosphoryl]oxybutanal
| Molecular Formula | C12H25Cl2N2O3P |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 346.098 |
| Heavy Atoms | 20 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 53948-50-8 |
|---|---|
| SMILES | CCN(CC)P(=O)(N(CCCl)CCCl)OCCCC=O |
| InChIKey | HDEZATKDSXYCSU-UHFFFAOYSA-N |
Product Overview
4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate (CAS 53948-50-8), with molecular formula C12H25Cl2N2O3P and molecular weight 346.10 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino-(diethylamino)phosphoryl]oxybutanal.
Chemical Property Profile of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate
Property Insights of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate. With a topological polar surface area (TPSA) of 49.9 Ų, 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate has 0 hydrogen bond donor(s) and 5 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 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate?
The CAS number of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate is 53948-50-8.
What is the molecular formula of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate?
The molecular formula of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate is C12H25Cl2N2O3P.
What is the molecular weight of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate?
The molecular weight of 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate is 346.10 g/mol.
Where can I buy 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate?
You can request a quote for 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.