BAS 00700386
TL;DR: BAS 00700386 (CAS 330180-84-2) is a chemical compound with molecular formula C25H21BrN2O2S2 and molecular weight 524.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00700386, 3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H21BrN2O2S2 |
|---|---|
| Molecular Weight | 524.02 g/mol |
| LogP | 6.1226 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.02277 |
| Heavy Atoms | 32 |
| Complexity | 1344.6273 |
Chemical Identifiers
| CAS Number | 330180-84-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 00700386 (CAS 330180-84-2), with molecular formula C25H21BrN2O2S2 and molecular weight 524.02 g/mol. IUPAC: 3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00700386
Property Insights of BAS 00700386
The XLogP value of 6.1226 indicates that BAS 00700386 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 00700386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00700386 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 00700386?
The CAS number of BAS 00700386 is 330180-84-2.
What is the molecular formula of BAS 00700386?
The molecular formula of BAS 00700386 is C25H21BrN2O2S2.
What is the molecular weight of BAS 00700386?
The molecular weight of BAS 00700386 is 524.02 g/mol.
Where can I buy BAS 00700386?
You can request a quote for BAS 00700386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700386?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.