![9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol structure](/static/products/223/22345-38-6.png)
9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol
TL;DR: 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol (CAS 22345-38-6) is a chemical compound with molecular formula C13H12OS and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol
Also Known As: 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol, AE-641/30102055, 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 2.9284 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 486.7861 |
Chemical Identifiers
| CAS Number | 22345-38-6 |
|---|---|
| SMILES | C1CC2=C(C=CS2)C(C3=CC=CC=C31)O |
Product Overview
9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol (CAS 22345-38-6), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol.
Chemical Property Profile of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol
Property Insights of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol
The XLogP value of 2.9284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol has 1 hydrogen bond donor(s) and 2 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 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol?
The CAS number of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol is 22345-38-6.
What is the molecular formula of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol?
The molecular formula of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol is C13H12OS.
What is the molecular weight of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol?
The molecular weight of 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol is 216.06 g/mol.
Where can I buy 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol?
You can request a quote for 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.