A2545/0108327
TL;DR: A2545/0108327 (CAS 442869-66-1) is a chemical compound with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: A2545/0108327, 2-[(4-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one, 2-[(4-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-methoxybenzyl)thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{[(4-METHOXYPHENYL)METHYL]SULFANYL}-5,6-DIMETHYL-3-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C22H20N2O2S2 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.36494 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09662 |
| Heavy Atoms | 28 |
| Complexity | 1179.3591 |
Chemical Identifiers
| CAS Number | 442869-66-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC)C4=CC=CC=C4)C |
Product Overview
A2545/0108327 (CAS 442869-66-1), with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of A2545/0108327
Property Insights of A2545/0108327
The XLogP value of 5.36494 indicates that A2545/0108327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, A2545/0108327 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2545/0108327 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 A2545/0108327?
The CAS number of A2545/0108327 is 442869-66-1.
What is the molecular formula of A2545/0108327?
The molecular formula of A2545/0108327 is C22H20N2O2S2.
What is the molecular weight of A2545/0108327?
The molecular weight of A2545/0108327 is 408.10 g/mol.
Where can I buy A2545/0108327?
You can request a quote for A2545/0108327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2545/0108327?
Yes, KEHONG BIO provides custom synthesis services for A2545/0108327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.