BAS 00469671
TL;DR: BAS 00469671 (CAS 294648-94-5) is a chemical compound with molecular formula C27H22N2OS2 and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00469671, 2-[(1-NAPHTHYLMETHYL)SULFANYL]-3-PHENYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 2-((naphthalen-1-ylmethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(naphthylmethylthio)-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]py rimidin-4-one
| Molecular Formula | C27H22N2OS2 |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 6.7715 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.11737 |
| Heavy Atoms | 32 |
| Complexity | 1496.2198 |
Chemical Identifiers
| CAS Number | 294648-94-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65 |
Product Overview
BAS 00469671 (CAS 294648-94-5), with molecular formula C27H22N2OS2 and molecular weight 454.12 g/mol. IUPAC: 2-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00469671
Property Insights of BAS 00469671
The XLogP value of 6.7715 indicates that BAS 00469671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00469671 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00469671 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00469671?
The CAS number of BAS 00469671 is 294648-94-5.
What is the molecular formula of BAS 00469671?
The molecular formula of BAS 00469671 is C27H22N2OS2.
What is the molecular weight of BAS 00469671?
The molecular weight of BAS 00469671 is 454.12 g/mol.
Where can I buy BAS 00469671?
You can request a quote for BAS 00469671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00469671?
Yes, KEHONG BIO provides custom synthesis services for BAS 00469671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.