BAS 04913303
TL;DR: BAS 04913303 (CAS 496026-44-9) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: BAS 04913303, UPCMLD0ENAT0513-6161:001, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 4.88924 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 1052.0718 |
Chemical Identifiers
| CAS Number | 496026-44-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC=C)C |
Product Overview
BAS 04913303 (CAS 496026-44-9), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 04913303
Property Insights of BAS 04913303
The XLogP value of 4.88924 indicates that BAS 04913303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 04913303 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04913303 has 0 hydrogen bond donor(s) and 5 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 04913303?
The CAS number of BAS 04913303 is 496026-44-9.
What is the molecular formula of BAS 04913303?
The molecular formula of BAS 04913303 is C19H17ClN2O2S2.
What is the molecular weight of BAS 04913303?
The molecular weight of BAS 04913303 is 404.04 g/mol.
Where can I buy BAS 04913303?
You can request a quote for BAS 04913303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913303?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.