ChemDiv1_001008
TL;DR: ChemDiv1_001008 (CAS 326919-07-7) is a chemical compound with molecular formula C23H20ClN5O7S and molecular weight 545.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione
Also Known As: ChemDiv1_001008, BAS 00491900, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H20ClN5O7S |
|---|---|
| Molecular Weight | 545.08 g/mol |
| LogP | 2.3998 |
| Topological Polar Surface Area | 162.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.0772 |
| Heavy Atoms | 37 |
| Complexity | 1578.8159 |
Chemical Identifiers
| CAS Number | 326919-07-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
ChemDiv1_001008 (CAS 326919-07-7), with molecular formula C23H20ClN5O7S and molecular weight 545.08 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_001008
Property Insights of ChemDiv1_001008
The XLogP value of 2.3998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001008. The TPSA of 162.35 Ų indicates high polarity, suggesting ChemDiv1_001008 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_001008 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001008?
The CAS number of ChemDiv1_001008 is 326919-07-7.
What is the molecular formula of ChemDiv1_001008?
The molecular formula of ChemDiv1_001008 is C23H20ClN5O7S.
What is the molecular weight of ChemDiv1_001008?
The molecular weight of ChemDiv1_001008 is 545.08 g/mol.
Where can I buy ChemDiv1_001008?
You can request a quote for ChemDiv1_001008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001008?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.