BAS 00458104
TL;DR: BAS 00458104 (CAS 328070-48-0) is a chemical compound with molecular formula C17H18ClN5O5S and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 00458104, 2-((7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, AB00684224-01, F0373-0679, 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
| Molecular Formula | C17H18ClN5O5S |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 0.094 |
| Topological Polar Surface Area | 145.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.07172 |
| Heavy Atoms | 29 |
| Complexity | 1153.9604 |
Chemical Identifiers
| CAS Number | 328070-48-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
BAS 00458104 (CAS 328070-48-0), with molecular formula C17H18ClN5O5S and molecular weight 439.07 g/mol. IUPAC: 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 00458104
Property Insights of BAS 00458104
The XLogP value of 0.094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458104. The TPSA of 145.23 Ų indicates high polarity, suggesting BAS 00458104 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00458104 has 3 hydrogen bond donor(s) and 7 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 BAS 00458104?
The CAS number of BAS 00458104 is 328070-48-0.
What is the molecular formula of BAS 00458104?
The molecular formula of BAS 00458104 is C17H18ClN5O5S.
What is the molecular weight of BAS 00458104?
The molecular weight of BAS 00458104 is 439.07 g/mol.
Where can I buy BAS 00458104?
You can request a quote for BAS 00458104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458104?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.