BAS 00432645
TL;DR: BAS 00432645 (CAS 330449-46-2) is a chemical compound with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 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-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00432645, 3-allyl-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F1043-0003, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C21H19ClN2O2S2 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 5.1512 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.05765 |
| Heavy Atoms | 28 |
| Complexity | 1116.1213 |
Chemical Identifiers
| CAS Number | 330449-46-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CCCC4 |
Product Overview
BAS 00432645 (CAS 330449-46-2), with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-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 00432645
Property Insights of BAS 00432645
The XLogP value of 5.1512 indicates that BAS 00432645 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 00432645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00432645 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 00432645?
The CAS number of BAS 00432645 is 330449-46-2.
What is the molecular formula of BAS 00432645?
The molecular formula of BAS 00432645 is C21H19ClN2O2S2.
What is the molecular weight of BAS 00432645?
The molecular weight of BAS 00432645 is 430.06 g/mol.
Where can I buy BAS 00432645?
You can request a quote for BAS 00432645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00432645?
Yes, KEHONG BIO provides custom synthesis services for BAS 00432645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.