Carboxyphosphamide Benzyl Ester
TL;DR: Carboxyphosphamide Benzyl Ester (CAS 37979-67-2) is a chemical compound with molecular formula C14H21Cl2N2O4P and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate
Also Known As: Carboxyphosphamide Benzyl Ester, benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate, Propanoic acid,3-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]-, phenylmethyl ester, 3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid Phenylmethyl Ester, benzyl 3-((amino(bis(2-chloroethyl)amino)phosphoryl)oxy)propanoate
| Molecular Formula | C14H21Cl2N2O4P |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 382.06158 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 37979-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCOP(=O)(N)N(CCCl)CCCl |
| InChIKey | URRQYEVJTAKGKS-UHFFFAOYSA-N |
Product Overview
Carboxyphosphamide Benzyl Ester (CAS 37979-67-2), with molecular formula C14H21Cl2N2O4P and molecular weight 382.06 g/mol. IUPAC: benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate.
Chemical Property Profile of Carboxyphosphamide Benzyl Ester
Property Insights of Carboxyphosphamide Benzyl Ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxyphosphamide Benzyl Ester. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carboxyphosphamide Benzyl Ester. Following Lipinski's Rule of Five, Carboxyphosphamide Benzyl Ester 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 Carboxyphosphamide Benzyl Ester?
The CAS number of Carboxyphosphamide Benzyl Ester is 37979-67-2.
What is the molecular formula of Carboxyphosphamide Benzyl Ester?
The molecular formula of Carboxyphosphamide Benzyl Ester is C14H21Cl2N2O4P.
What is the molecular weight of Carboxyphosphamide Benzyl Ester?
The molecular weight of Carboxyphosphamide Benzyl Ester is 382.06 g/mol.
Where can I buy Carboxyphosphamide Benzyl Ester?
You can request a quote for Carboxyphosphamide Benzyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxyphosphamide Benzyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Carboxyphosphamide Benzyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.