3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene
TL;DR: 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene (CAS 125847-55-4) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
Also Known As: 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene, Cyclohexane, [(1S)-1-methyl-2-propenyl]-, (3R,4R)-3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol, J1.374.278B, trans-3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 125847-55-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)[C@H]([C@@H](C=C4)O)O |
| InChIKey | OQXZFINLNQJALO-UKRRQHHQSA-N |
Product Overview
3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene (CAS 125847-55-4), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: (3R,4R)-3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol.
Chemical Property Profile of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene
Property Insights of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene
The XLogP value of 3.1 indicates that 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene. Following Lipinski's Rule of Five, 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene has 2 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 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The CAS number of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene is 125847-55-4.
What is the molecular formula of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The molecular formula of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene is C16H12O2S.
What is the molecular weight of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The molecular weight of 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene is 268.06 g/mol.
Where can I buy 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene?
You can request a quote for 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-3,4-dihydrobenzo(b)naphtho(2,1-d)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.