9-((2-Hydroxyethoxy)methyl)-8-iodoguanine
TL;DR: 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine (CAS 91897-99-3) is a chemical compound with molecular formula C19H17ClN2O2S and molecular weight 372.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-9-methoxy-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one
Also Known As: 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine, J1.804.900G, 1-[(2-chlorophenyl)methyl]-9-methoxy-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one, 1-[(2-chlorophenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one, 14-[(2-chlorophenyl)methyl]-4-methoxy-8-thia-11,14-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-10-one
| Molecular Formula | C19H17ClN2O2S |
|---|---|
| Molecular Weight | 372.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.06992 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 91897-99-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=C2N(CCNC3=O)CC4=CC=CC=C4Cl |
| InChIKey | JQHWBJCSGHHAOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-((2-Hydroxyethoxy)methyl)-8-iodoguanine (CAS 91897-99-3), with molecular formula C19H17ClN2O2S and molecular weight 372.07 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-9-methoxy-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one.
Chemical Property Profile of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine
Property Insights of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine
The XLogP value of 4.5 indicates that 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine. Following Lipinski's Rule of Five, 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine has 1 hydrogen bond donor(s) and 4 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 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine?
The CAS number of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine is 91897-99-3.
What is the molecular formula of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine?
The molecular formula of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine is C19H17ClN2O2S.
What is the molecular weight of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine?
The molecular weight of 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine is 372.07 g/mol.
Where can I buy 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine?
You can request a quote for 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine?
Yes, KEHONG BIO provides custom synthesis services for 9-((2-Hydroxyethoxy)methyl)-8-iodoguanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.