Atrimustine
TL;DR: Atrimustine (CAS 75219-46-4) is a chemical compound with molecular formula C41H47Cl2NO6 and molecular weight 719.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Atrimustine, Bestrabucil, Atrimustina, Atrimustinum, Busramustine
| Molecular Formula | C41H47Cl2NO6 |
|---|---|
| Molecular Weight | 719.28 g/mol |
| LogP | 8.5238 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 719.278 |
| Heavy Atoms | 50 |
| Complexity | 1625.7101 |
Chemical Identifiers
| CAS Number | 75219-46-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
Atrimustine (CAS 75219-46-4), with molecular formula C41H47Cl2NO6 and molecular weight 719.28 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Atrimustine
Property Insights of Atrimustine
The XLogP value of 8.5238 indicates that Atrimustine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Atrimustine. Following Lipinski's Rule of Five, Atrimustine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atrimustine?
The CAS number of Atrimustine is 75219-46-4.
What is the molecular formula of Atrimustine?
The molecular formula of Atrimustine is C41H47Cl2NO6.
What is the molecular weight of Atrimustine?
The molecular weight of Atrimustine is 719.28 g/mol.
Where can I buy Atrimustine?
You can request a quote for Atrimustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atrimustine?
Yes, KEHONG BIO provides custom synthesis services for Atrimustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.