RefChem:331677
TL;DR: RefChem:331677 (CAS 81733-40-6) is a chemical compound with molecular formula C15H22Cl2N3O5P and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxy]carbamate
Also Known As: Carbamic acid, ((2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)oxy)-, phenylmethyl ester, P-oxide, benzyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2, benzyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaph, E5-oxazaphosphinan-4-yl]oxy]carbamate, Benzyl hydrogen ({2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}oxy)carbonimidate
| Molecular Formula | C15H22Cl2N3O5P |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.0681 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.0674 |
| Heavy Atoms | 26 |
| Complexity | 604.20447 |
Chemical Identifiers
| CAS Number | 81733-40-6 |
|---|---|
| SMILES | C1COP(=O)(NC1ONC(=O)OCC2=CC=CC=C2)N(CCCl)CCCl |
Product Overview
RefChem:331677 (CAS 81733-40-6), with molecular formula C15H22Cl2N3O5P and molecular weight 425.07 g/mol. IUPAC: benzyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxy]carbamate.
Chemical Property Profile of RefChem:331677
Property Insights of RefChem:331677
The XLogP value of 3.0681 indicates that RefChem:331677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331677. Following Lipinski's Rule of Five, RefChem:331677 has 2 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 RefChem:331677?
The CAS number of RefChem:331677 is 81733-40-6.
What is the molecular formula of RefChem:331677?
The molecular formula of RefChem:331677 is C15H22Cl2N3O5P.
What is the molecular weight of RefChem:331677?
The molecular weight of RefChem:331677 is 425.07 g/mol.
Where can I buy RefChem:331677?
You can request a quote for RefChem:331677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.