RefChem:375684
TL;DR: RefChem:375684 (CAS 3810-30-8) is a chemical compound with molecular formula C16H19IN6O2S and molecular weight 486.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N'-phenylcarbamimidothioate;hydroiodide
Also Known As: Pseudourea, 1-phenyl-2-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-2-thio-, monohydriodide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N'-phenylcarbamimidothioate hydroiodide, 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl N'-phenylcarbamimidothioate--hydrogen iodide (1/1), RefChem:375684
| Molecular Formula | C16H19IN6O2S |
|---|---|
| Molecular Weight | 486.03 g/mol |
| LogP | 1.4313 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.03348 |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 3810-30-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=NC3=CC=CC=C3)N.I |
| InChIKey | GXMROXORHFDXNV-UHFFFAOYSA-N |
Product Overview
RefChem:375684 (CAS 3810-30-8), with molecular formula C16H19IN6O2S and molecular weight 486.03 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N'-phenylcarbamimidothioate;hydroiodide.
Chemical Property Profile of RefChem:375684
Property Insights of RefChem:375684
The XLogP value of 1.4313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:375684. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:375684. Following Lipinski's Rule of Five, RefChem:375684 has 2 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 RefChem:375684?
The CAS number of RefChem:375684 is 3810-30-8.
What is the molecular formula of RefChem:375684?
The molecular formula of RefChem:375684 is C16H19IN6O2S.
What is the molecular weight of RefChem:375684?
The molecular weight of RefChem:375684 is 486.03 g/mol.
Where can I buy RefChem:375684?
You can request a quote for RefChem:375684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.