1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene
TL;DR: 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene (CAS 125847-45-2) 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.
(1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
Also Known As: (2,1)BNT 1,2-diol, trans-1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene, 1,2-dihydrobenzo[b]naphtho[2,1-d]thiophene-1,2-diol, 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene, Benzo(b)naphtho(2,1-d)thiophene-1,2-diol, 1,2-dihydro-, trans-
| 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 | 125847-45-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C[C@@H]([C@H]4O)O)C=C3 |
| InChIKey | BYFVXOICIXESGI-SWLSCSKDSA-N |
Product Overview
1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene (CAS 125847-45-2), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: (1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol.
Chemical Property Profile of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene
Property Insights of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene
The XLogP value of 3.1 indicates that 1,2-Dihydroxy-1,2-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 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene. Following Lipinski's Rule of Five, 1,2-Dihydroxy-1,2-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 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The CAS number of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene is 125847-45-2.
What is the molecular formula of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The molecular formula of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene is C16H12O2S.
What is the molecular weight of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene?
The molecular weight of 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene is 268.06 g/mol.
Where can I buy 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene?
You can request a quote for 1,2-Dihydroxy-1,2-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 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.