Pentamustine
TL;DR: Pentamustine (CAS 73105-03-0) is a chemical compound with molecular formula C8H16ClN3O2 and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,2-dimethylpropyl)-1-nitrosourea
Also Known As: Pentamustine, Neptamustine, Salisburystin, neptamustina, Neptamustinum
| Molecular Formula | C8H16ClN3O2 |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 1.9643 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.09311 |
| Heavy Atoms | 14 |
| Complexity | 203.2533 |
Chemical Identifiers
| CAS Number | 73105-03-0 |
|---|---|
| SMILES | CC(C)(C)CNC(=O)N(CCCl)N=O |
Product Overview
Pentamustine (CAS 73105-03-0), with molecular formula C8H16ClN3O2 and molecular weight 221.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,2-dimethylpropyl)-1-nitrosourea.
Chemical Property Profile of Pentamustine
Property Insights of Pentamustine
The XLogP value of 1.9643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamustine. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamustine. Following Lipinski's Rule of Five, Pentamustine has 1 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 Pentamustine?
The CAS number of Pentamustine is 73105-03-0.
What is the molecular formula of Pentamustine?
The molecular formula of Pentamustine is C8H16ClN3O2.
What is the molecular weight of Pentamustine?
The molecular weight of Pentamustine is 221.09 g/mol.
Where can I buy Pentamustine?
You can request a quote for Pentamustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamustine?
Yes, KEHONG BIO provides custom synthesis services for Pentamustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.