Butodicin
TL;DR: Butodicin (CAS 22181-95-9) is a chemical compound with molecular formula C16H22N6O4S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate
Also Known As: Butodicin, J1.606.023B, ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl], Ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate, Ethyl N-{5-[(7H-purin-6-yl)sulfanyl]pentanoyl}glycylglycinate
| Molecular Formula | C16H22N6O4S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 0.4108 |
| Topological Polar Surface Area | 138.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.14233 |
| Heavy Atoms | 27 |
| Complexity | 781.1112 |
Chemical Identifiers
| CAS Number | 22181-95-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2 |
Product Overview
Butodicin (CAS 22181-95-9), with molecular formula C16H22N6O4S and molecular weight 394.14 g/mol. IUPAC: ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate.
Chemical Property Profile of Butodicin
Property Insights of Butodicin
The XLogP value of 0.4108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butodicin. The TPSA of 138.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Butodicin. Following Lipinski's Rule of Five, Butodicin has 3 hydrogen bond donor(s) and 8 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 Butodicin?
The CAS number of Butodicin is 22181-95-9.
What is the molecular formula of Butodicin?
The molecular formula of Butodicin is C16H22N6O4S.
What is the molecular weight of Butodicin?
The molecular weight of Butodicin is 394.14 g/mol.
Where can I buy Butodicin?
You can request a quote for Butodicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butodicin?
Yes, KEHONG BIO provides custom synthesis services for Butodicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.