BAS 00435766
TL;DR: BAS 00435766 (CAS 370071-25-3) is a chemical compound with molecular formula C21H18Cl2N2O2S2 and molecular weight 464.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00435766, 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(3,4-dichlorophenyl)-2-oxoethylthio]-3-prop-2-enyl-3,5,6,7,8-pentahydrobe nzo[b]thiopheno[2,3-d]pyrimidin-4-one, 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H18Cl2N2O2S2 |
|---|---|
| Molecular Weight | 464.02 g/mol |
| LogP | 5.8046 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.01868 |
| Heavy Atoms | 29 |
| Complexity | 1183.6183 |
Chemical Identifiers
| CAS Number | 370071-25-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4 |
Product Overview
BAS 00435766 (CAS 370071-25-3), with molecular formula C21H18Cl2N2O2S2 and molecular weight 464.02 g/mol. IUPAC: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00435766
Property Insights of BAS 00435766
The XLogP value of 5.8046 indicates that BAS 00435766 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 00435766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00435766 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00435766?
The CAS number of BAS 00435766 is 370071-25-3.
What is the molecular formula of BAS 00435766?
The molecular formula of BAS 00435766 is C21H18Cl2N2O2S2.
What is the molecular weight of BAS 00435766?
The molecular weight of BAS 00435766 is 464.02 g/mol.
Where can I buy BAS 00435766?
You can request a quote for BAS 00435766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435766?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.