BAS 00491910
TL;DR: BAS 00491910 (CAS 328070-08-2) is a chemical compound with molecular formula C19H21BrN4O6S and molecular weight 512.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491910, ethyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate, ethyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}thio)acetate, ethyl 2-((7-(3-(4-bromophenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, ethyl 2-({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
| Molecular Formula | C19H21BrN4O6S |
|---|---|
| Molecular Weight | 512.04 g/mol |
| LogP | 1.2809 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.0365 |
| Heavy Atoms | 31 |
| Complexity | 1187.0566 |
Chemical Identifiers
| CAS Number | 328070-08-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00491910 (CAS 328070-08-2), with molecular formula C19H21BrN4O6S and molecular weight 512.04 g/mol. IUPAC: ethyl 2-[7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491910
Property Insights of BAS 00491910
The XLogP value of 1.2809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491910. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491910. Following Lipinski's Rule of Five, BAS 00491910 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00491910?
The CAS number of BAS 00491910 is 328070-08-2.
What is the molecular formula of BAS 00491910?
The molecular formula of BAS 00491910 is C19H21BrN4O6S.
What is the molecular weight of BAS 00491910?
The molecular weight of BAS 00491910 is 512.04 g/mol.
Where can I buy BAS 00491910?
You can request a quote for BAS 00491910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491910?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.