BAS 00527747
TL;DR: BAS 00527747 (CAS 312278-49-2) is a chemical compound with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: BAS 00527747, 2-[(2-chlorobenzyl)sulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one, A1752/0074351, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5,6-DIMETHYL-3-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C21H17ClN2OS2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 6.00974 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0471 |
| Heavy Atoms | 27 |
| Complexity | 1182.2289 |
Chemical Identifiers
| CAS Number | 312278-49-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C4=CC=CC=C4)C |
Product Overview
BAS 00527747 (CAS 312278-49-2), with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00527747
Property Insights of BAS 00527747
The XLogP value of 6.00974 indicates that BAS 00527747 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 00527747 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00527747 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 00527747?
The CAS number of BAS 00527747 is 312278-49-2.
What is the molecular formula of BAS 00527747?
The molecular formula of BAS 00527747 is C21H17ClN2OS2.
What is the molecular weight of BAS 00527747?
The molecular weight of BAS 00527747 is 412.05 g/mol.
Where can I buy BAS 00527747?
You can request a quote for BAS 00527747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00527747?
Yes, KEHONG BIO provides custom synthesis services for BAS 00527747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.