BAS 00491855
TL;DR: BAS 00491855 (CAS 331726-01-3) is a chemical compound with molecular formula C17H23ClN4O4S and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491855, pentyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, (Z)-pentyl 2-((7-(3-chlorobut-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, PENTYL ({7-[(2Z)-3-CHLORO-2-BUTENYL]-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}SULFANYL)ACETATE, pentyl ({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
| Molecular Formula | C17H23ClN4O4S |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 2.3914 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.11285 |
| Heavy Atoms | 27 |
| Complexity | 956.2197 |
Chemical Identifiers
| CAS Number | 331726-01-3 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00491855 (CAS 331726-01-3), with molecular formula C17H23ClN4O4S and molecular weight 414.11 g/mol. IUPAC: pentyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491855
Property Insights of BAS 00491855
The XLogP value of 2.3914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491855. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491855. Following Lipinski's Rule of Five, BAS 00491855 has 1 hydrogen bond donor(s) and 6 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 00491855?
The CAS number of BAS 00491855 is 331726-01-3.
What is the molecular formula of BAS 00491855?
The molecular formula of BAS 00491855 is C17H23ClN4O4S.
What is the molecular weight of BAS 00491855?
The molecular weight of BAS 00491855 is 414.11 g/mol.
Where can I buy BAS 00491855?
You can request a quote for BAS 00491855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491855?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.