2X-0277
TL;DR: 2X-0277 (CAS 861211-16-7) is a chemical compound with molecular formula C25H17FN2O3S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylsulfanyl]-1,4-dihydroindeno[1,2-d]pyrimidin-5-one
Also Known As: 2X-0277, 4-(1,3-benzodioxol-5-yl)-2-[(2-fluorobenzyl)sulfanyl]-1,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one, 4-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylsulfanyl]-1,4-dihydroindeno[1,2-d]pyrimidin-5-one, 4-(2H-1,3-benzodioxol-5-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-1H,4H,5H-indeno[1,2-d]pyrimidin-5-one
| Molecular Formula | C25H17FN2O3S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 5.0957 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.0944 |
| Heavy Atoms | 32 |
| Complexity | 1334.2672 |
Chemical Identifiers
| CAS Number | 861211-16-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C4=C(C5=CC=CC=C5C4=O)NC(=N3)SCC6=CC=CC=C6F |
Product Overview
2X-0277 (CAS 861211-16-7), with molecular formula C25H17FN2O3S and molecular weight 444.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylsulfanyl]-1,4-dihydroindeno[1,2-d]pyrimidin-5-one.
Chemical Property Profile of 2X-0277
Property Insights of 2X-0277
The XLogP value of 5.0957 indicates that 2X-0277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 2X-0277 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2X-0277 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2X-0277?
The CAS number of 2X-0277 is 861211-16-7.
What is the molecular formula of 2X-0277?
The molecular formula of 2X-0277 is C25H17FN2O3S.
What is the molecular weight of 2X-0277?
The molecular weight of 2X-0277 is 444.09 g/mol.
Where can I buy 2X-0277?
You can request a quote for 2X-0277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2X-0277?
Yes, KEHONG BIO provides custom synthesis services for 2X-0277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.