amantadine-N-mustard
TL;DR: amantadine-N-mustard (CAS 57547-34-9) is a chemical compound with molecular formula C14H23Cl2N and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)adamantan-1-amine
Also Known As: Amantadine-N-mustard, N,N-bis(2-chloroethyl)adamantan-1-amine, N,N-Bis(2-chloroethyl)tricyclo(3.3.1.13,7)decan-1-amine, n,n-bis(2-chloroethyl)tricyclo[3.3.1.13,7]decan-1-amine, Tricyclo[3.3.1.1]decan-1-amine, N,N-bis(2-chloroethyl)-
| Molecular Formula | C14H23Cl2N |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.12076 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 57547-34-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N(CCCl)CCCl |
| InChIKey | XXLZNPXWCIMLFS-UHFFFAOYSA-N |
Product Overview
amantadine-N-mustard (CAS 57547-34-9), with molecular formula C14H23Cl2N and molecular weight 275.12 g/mol. IUPAC: N,N-bis(2-chloroethyl)adamantan-1-amine.
Chemical Property Profile of amantadine-N-mustard
Property Insights of amantadine-N-mustard
The XLogP value of 4.1 indicates that amantadine-N-mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, amantadine-N-mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, amantadine-N-mustard has 0 hydrogen bond donor(s) and 1 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 amantadine-N-mustard?
The CAS number of amantadine-N-mustard is 57547-34-9.
What is the molecular formula of amantadine-N-mustard?
The molecular formula of amantadine-N-mustard is C14H23Cl2N.
What is the molecular weight of amantadine-N-mustard?
The molecular weight of amantadine-N-mustard is 275.12 g/mol.
Where can I buy amantadine-N-mustard?
You can request a quote for amantadine-N-mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for amantadine-N-mustard?
Yes, KEHONG BIO provides custom synthesis services for amantadine-N-mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.