BAS 00491887
TL;DR: BAS 00491887 (CAS 313470-71-2) is a chemical compound with molecular formula C22H27ClN4O6S and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491887, F0381-4456, pentyl 2-((7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, pentyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, pentyl 2-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
| Molecular Formula | C22H27ClN4O6S |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 2.3421 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 510.13397 |
| Heavy Atoms | 34 |
| Complexity | 1237.1511 |
Chemical Identifiers
| CAS Number | 313470-71-2 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00491887 (CAS 313470-71-2), with molecular formula C22H27ClN4O6S and molecular weight 510.13 g/mol. IUPAC: pentyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491887
Property Insights of BAS 00491887
The XLogP value of 2.3421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491887. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491887. Following Lipinski's Rule of Five, BAS 00491887 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 00491887?
The CAS number of BAS 00491887 is 313470-71-2.
What is the molecular formula of BAS 00491887?
The molecular formula of BAS 00491887 is C22H27ClN4O6S.
What is the molecular weight of BAS 00491887?
The molecular weight of BAS 00491887 is 510.13 g/mol.
Where can I buy BAS 00491887?
You can request a quote for BAS 00491887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491887?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.