9-苯基-9H-噻吨-9-醇10,10-二氧化物
TL;DR: 9-苯基-9H-噻吨-9-醇10,10-二氧化物 (CAS 6630-81-5) is a chemical compound with molecular formula C19H14O3S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-苯基-9H-噻吨-9-醇10,10-二氧化物
10,10-dioxo-9-phenylthioxanthen-9-ol
Also Known As: 9-Phenyl-9H-thioxanthen-9-ol 10,10-dioxide, NCIOpen2_007459, 10,10-dioxo-9-phenylthioxanthen-9-ol, Thioxanthen-9-ol, 10,10-dioxide, Thioxanthen-9-ol, 9-phenol-, 10,10-dioxide
| Molecular Formula | C19H14O3S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.06638 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 6630-81-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42)O |
| InChIKey | LBVZDBOJWNAZQS-UHFFFAOYSA-N |
Product Overview
9-苯基-9H-噻吨-9-醇10,10-二氧化物 (CAS 6630-81-5), with molecular formula C19H14O3S and molecular weight 322.07 g/mol. IUPAC: 10,10-dioxo-9-phenylthioxanthen-9-ol.
Chemical Property Profile of 9-苯基-9H-噻吨-9-醇10,10-二氧化物
Property Insights of 9-苯基-9H-噻吨-9-醇10,10-二氧化物
The XLogP value of 3.1 indicates that 9-苯基-9H-噻吨-9-醇10,10-二氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-苯基-9H-噻吨-9-醇10,10-二氧化物. Following Lipinski's Rule of Five, 9-苯基-9H-噻吨-9-醇10,10-二氧化物 has 1 hydrogen bond donor(s) and 3 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 9-苯基-9H-噻吨-9-醇10,10-二氧化物?
The CAS number of 9-苯基-9H-噻吨-9-醇10,10-二氧化物 is 6630-81-5.
What is the molecular formula of 9-苯基-9H-噻吨-9-醇10,10-二氧化物?
The molecular formula of 9-苯基-9H-噻吨-9-醇10,10-二氧化物 is C19H14O3S.
What is the molecular weight of 9-苯基-9H-噻吨-9-醇10,10-二氧化物?
The molecular weight of 9-苯基-9H-噻吨-9-醇10,10-二氧化物 is 322.07 g/mol.
Where can I buy 9-苯基-9H-噻吨-9-醇10,10-二氧化物?
You can request a quote for 9-苯基-9H-噻吨-9-醇10,10-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-苯基-9H-噻吨-9-醇10,10-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 9-苯基-9H-噻吨-9-醇10,10-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.