RefChem:267700
TL;DR: RefChem:267700 (CAS 78219-94-0) is a chemical compound with molecular formula C12H25Cl2N2O2P and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-N,N-bis(2-chloroethyl)-6-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: B 797, B-797, Tetrahydro-2-(bis(2-chloroethyl)amino)-3-butyl-6-methyl-2H-1,3,2-oxazaphosphorine 2-oxide, 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-butyl-6-methyl-, 2-oxide, 3-butyl-N,N-bis(2-chloroethyl)-6-methyl-2-oxo-1,3,2
| Molecular Formula | C12H25Cl2N2O2P |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.785 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.10306 |
| Heavy Atoms | 19 |
| Complexity | 299.45398 |
Chemical Identifiers
| CAS Number | 78219-94-0 |
|---|---|
| SMILES | CCCCN1CCC(OP1(=O)N(CCCl)CCCl)C |
Product Overview
RefChem:267700 (CAS 78219-94-0), with molecular formula C12H25Cl2N2O2P and molecular weight 330.10 g/mol. IUPAC: 3-butyl-N,N-bis(2-chloroethyl)-6-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of RefChem:267700
Property Insights of RefChem:267700
The XLogP value of 3.785 indicates that RefChem:267700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, RefChem:267700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267700 has 0 hydrogen bond donor(s) and 2 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:267700?
The CAS number of RefChem:267700 is 78219-94-0.
What is the molecular formula of RefChem:267700?
The molecular formula of RefChem:267700 is C12H25Cl2N2O2P.
What is the molecular weight of RefChem:267700?
The molecular weight of RefChem:267700 is 330.10 g/mol.
Where can I buy RefChem:267700?
You can request a quote for RefChem:267700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267700?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.