Shermilamine B
TL;DR: Shermilamine B (CAS 122271-41-4) is a chemical compound with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide
Also Known As: Shermilamine B, ShermilamineB, Debromoshermilamine A, Debromoshermilamine, N-[2-(oxo[?]yl)ethyl]acetamide
| Molecular Formula | C21H18N4O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.6816 |
| Topological Polar Surface Area | 83.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.11505 |
| Heavy Atoms | 28 |
| Complexity | 1158.8411 |
Chemical Identifiers
| CAS Number | 122271-41-4 |
|---|---|
| SMILES | CC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SCC(=O)N4)C5=CC=CC=C5N2 |
Product Overview
Shermilamine B (CAS 122271-41-4), with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol. IUPAC: N-[2-(16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide.
Chemical Property Profile of Shermilamine B
Property Insights of Shermilamine B
The XLogP value of 3.6816 indicates that Shermilamine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Shermilamine B. Following Lipinski's Rule of Five, Shermilamine B has 3 hydrogen bond donor(s) and 5 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 Shermilamine B?
The CAS number of Shermilamine B is 122271-41-4.
What is the molecular formula of Shermilamine B?
The molecular formula of Shermilamine B is C21H18N4O2S.
What is the molecular weight of Shermilamine B?
The molecular weight of Shermilamine B is 390.12 g/mol.
Where can I buy Shermilamine B?
You can request a quote for Shermilamine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shermilamine B?
Yes, KEHONG BIO provides custom synthesis services for Shermilamine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.