美拉胂醇
TL;DR: 美拉胂醇 (CAS 494-79-1) is a chemical compound with molecular formula C12H15AsN6OS2 and molecular weight 398.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美拉胂醇
[2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Also Known As: MELARSOPROL, Arsobal, Mel B, Melarsoprolum, MelarsenoxidBAL
| Molecular Formula | C12H15AsN6OS2 |
|---|---|
| Molecular Weight | 398.00 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.99646 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 494-79-1 |
|---|---|
| SMILES | C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO |
| InChIKey | JCYZMTMYPZHVBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
美拉胂醇 (CAS 494-79-1), with molecular formula C12H15AsN6OS2 and molecular weight 398.00 g/mol. IUPAC: [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol.
Chemical Property Profile of 美拉胂醇
Property Insights of 美拉胂醇
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 美拉胂醇. The TPSA of 174.0 Ų indicates high polarity, suggesting 美拉胂醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 美拉胂醇 has 4 hydrogen bond donor(s) and 9 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 美拉胂醇?
The CAS number of 美拉胂醇 is 494-79-1.
What is the molecular formula of 美拉胂醇?
The molecular formula of 美拉胂醇 is C12H15AsN6OS2.
What is the molecular weight of 美拉胂醇?
The molecular weight of 美拉胂醇 is 398.00 g/mol.
Where can I buy 美拉胂醇?
You can request a quote for 美拉胂醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美拉胂醇?
Yes, KEHONG BIO provides custom synthesis services for 美拉胂醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.