1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho
TL;DR: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho (CAS 56252-49-4) is a chemical compound with molecular formula C18H22Cl2N5OPS2 and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenylthiourea
Also Known As: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho, 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenylthiourea, N,N'-{[Bis(2-chloroethyl)amino]phosphoryl}bis[N'-phenyl(thiourea)]
| Molecular Formula | C18H22Cl2N5OPS2 |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 4.8473 |
| Topological Polar Surface Area | 68.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.03806 |
| Heavy Atoms | 29 |
| Complexity | 779.1598 |
Chemical Identifiers
| CAS Number | 56252-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NP(=O)(NC(=S)NC2=CC=CC=C2)N(CCCl)CCCl |
Product Overview
1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho (CAS 56252-49-4), with molecular formula C18H22Cl2N5OPS2 and molecular weight 489.04 g/mol. IUPAC: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenylthiourea.
Chemical Property Profile of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho
Property Insights of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho
The XLogP value of 4.8473 indicates that 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho. Following Lipinski's Rule of Five, 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho has 4 hydrogen bond donor(s) and 3 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 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho?
The CAS number of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho is 56252-49-4.
What is the molecular formula of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho?
The molecular formula of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho is C18H22Cl2N5OPS2.
What is the molecular weight of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho?
The molecular weight of 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho is 489.04 g/mol.
Where can I buy 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho?
You can request a quote for 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho?
Yes, KEHONG BIO provides custom synthesis services for 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phospho and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.