2-(N-Iodoacetylaminoethyl)thioadenine
TL;DR: 2-(N-Iodoacetylaminoethyl)thioadenine (CAS 146269-93-4) is a chemical compound with molecular formula C9H11IN6OS and molecular weight 377.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6-amino-7H-purin-2-yl)sulfanyl]ethyl]-N-iodoacetamide
Also Known As: 2-Nita, 2- thioadenine, 2-(N-Iodoacetylaminoethyl)thioadenine, N-[2-[(6-amino-7H-purin-2-yl)sulfanyl]ethyl]-N-iodoacetamide, N-{2-[(6-Amino-3H-purin-2-yl)sulfanyl]ethyl}-N-iodoacetamide
| Molecular Formula | C9H11IN6OS |
|---|---|
| Molecular Weight | 377.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.97598 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 146269-93-4 |
|---|---|
| SMILES | CC(=O)N(CCSC1=NC(=C2C(=N1)N=CN2)N)I |
| InChIKey | JNCPVPYNXQADNV-UHFFFAOYSA-N |
Product Overview
2-(N-Iodoacetylaminoethyl)thioadenine (CAS 146269-93-4), with molecular formula C9H11IN6OS and molecular weight 377.98 g/mol. IUPAC: N-[2-[(6-amino-7H-purin-2-yl)sulfanyl]ethyl]-N-iodoacetamide.
Chemical Property Profile of 2-(N-Iodoacetylaminoethyl)thioadenine
Property Insights of 2-(N-Iodoacetylaminoethyl)thioadenine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-Iodoacetylaminoethyl)thioadenine. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-Iodoacetylaminoethyl)thioadenine. Following Lipinski's Rule of Five, 2-(N-Iodoacetylaminoethyl)thioadenine has 2 hydrogen bond donor(s) and 6 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 2-(N-Iodoacetylaminoethyl)thioadenine?
The CAS number of 2-(N-Iodoacetylaminoethyl)thioadenine is 146269-93-4.
What is the molecular formula of 2-(N-Iodoacetylaminoethyl)thioadenine?
The molecular formula of 2-(N-Iodoacetylaminoethyl)thioadenine is C9H11IN6OS.
What is the molecular weight of 2-(N-Iodoacetylaminoethyl)thioadenine?
The molecular weight of 2-(N-Iodoacetylaminoethyl)thioadenine is 377.98 g/mol.
Where can I buy 2-(N-Iodoacetylaminoethyl)thioadenine?
You can request a quote for 2-(N-Iodoacetylaminoethyl)thioadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-Iodoacetylaminoethyl)thioadenine?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-Iodoacetylaminoethyl)thioadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.