双酚沙丁
TL;DR: 双酚沙丁 (CAS 17692-24-9) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双酚沙丁
2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
Also Known As: BISOXATIN, Bisoxatina, Bisoxatine, Bisoxatinum, Bisoxatin (INN)
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 17692-24-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(O2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| InChIKey | BPKUDUSVDVLOPY-UHFFFAOYSA-N |
Product Overview
双酚沙丁 (CAS 17692-24-9), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 双酚沙丁
Property Insights of 双酚沙丁
The XLogP value of 3.3 indicates that 双酚沙丁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 双酚沙丁. Following Lipinski's Rule of Five, 双酚沙丁 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双酚沙丁?
The CAS number of 双酚沙丁 is 17692-24-9.
What is the molecular formula of 双酚沙丁?
The molecular formula of 双酚沙丁 is C20H15NO4.
What is the molecular weight of 双酚沙丁?
The molecular weight of 双酚沙丁 is 333.10 g/mol.
Where can I buy 双酚沙丁?
You can request a quote for 双酚沙丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双酚沙丁?
Yes, KEHONG BIO provides custom synthesis services for 双酚沙丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.