C6H4-dithiophene
TL;DR: C6H4-dithiophene (CAS 104500-13-2) is a chemical compound with molecular formula C23H27NO5S and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: C6H4-dithiophene, 1,3-Propanediol, 2-((11H-benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-, methanesulfonate (salt), 2-((11H-Benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt), 2-((11H-Benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 2-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 2.7479 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 104500-13-2 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C(=CC3=CC=CC=C31)CC4=CC=CC=C42.CS(=O)(=O)O |
| InChIKey | MDVQTMDPTGPRRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C6H4-dithiophene (CAS 104500-13-2), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: 2-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid.
Chemical Property Profile of C6H4-dithiophene
Property Insights of C6H4-dithiophene
The XLogP value of 2.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C6H4-dithiophene. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C6H4-dithiophene. Following Lipinski's Rule of Five, C6H4-dithiophene has 4 hydrogen bond donor(s) and 6 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 C6H4-dithiophene?
The CAS number of C6H4-dithiophene is 104500-13-2.
What is the molecular formula of C6H4-dithiophene?
The molecular formula of C6H4-dithiophene is C23H27NO5S.
What is the molecular weight of C6H4-dithiophene?
The molecular weight of C6H4-dithiophene is 429.16 g/mol.
Where can I buy C6H4-dithiophene?
You can request a quote for C6H4-dithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C6H4-dithiophene?
Yes, KEHONG BIO provides custom synthesis services for C6H4-dithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.