Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate
TL;DR: Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate (CAS 74789-64-3) is a chemical compound with molecular formula C20H23Cl2N2O3P and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-[2-[bis(2-chloroethoxy)phosphoryl]ethyl]benzimidazole
Also Known As: Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate, (2-(2-(Phenylmethyl)-1H-benzimidazol-1-yl)ethyl)phosphonic acid bis(2-chloroethyl) ester, Phosphonic acid, (2-(2-(phenylmethyl)-1H-benzimidazol-1-yl)ethyl)-, bis(2-chloroethyl) ester, 2-benzyl-1-[2-[bis(2-chloroethoxy)phosphoryl]ethyl]benzimidazole, Bis(2-chloroethyl) [2-(2-benzyl-1H-1,3-benzimidazol-1-yl)ethyl]phosphonate
| Molecular Formula | C20H23Cl2N2O3P |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.08234 |
| Heavy Atoms | 28 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 74789-64-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCP(=O)(OCCCl)OCCCl |
| InChIKey | UTHUEGPMLNWLBE-UHFFFAOYSA-N |
Product Overview
Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate (CAS 74789-64-3), with molecular formula C20H23Cl2N2O3P and molecular weight 440.08 g/mol. IUPAC: 2-benzyl-1-[2-[bis(2-chloroethoxy)phosphoryl]ethyl]benzimidazole.
Chemical Property Profile of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate
Property Insights of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate
The XLogP value of 3.8 indicates that Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate has 0 hydrogen bond donor(s) and 4 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 Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate?
The CAS number of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate is 74789-64-3.
What is the molecular formula of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate?
The molecular formula of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate is C20H23Cl2N2O3P.
What is the molecular weight of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate?
The molecular weight of Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate is 440.08 g/mol.
Where can I buy Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate?
You can request a quote for Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Di-beta-chloroethyl-beta-benzylbenzimidazolyl ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.