![2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide structure](/static/products/4520/452090-00-5.webp)
2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide
TL;DR: 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide (CAS 452090-00-5) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
Also Known As: IFLab1_004611, IFLab2_000082, IDI1_010366, IDI1_019108, BAS 03390566
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 3.1162 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 839.36273 |
Chemical Identifiers
| CAS Number | 452090-00-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)SC3=O |
Product Overview
2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide (CAS 452090-00-5), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: N,N-diethyl-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide.
Chemical Property Profile of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide
Property Insights of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide
The XLogP value of 3.1162 indicates that 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide has 0 hydrogen bond donor(s) and 4 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 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide?
The CAS number of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide is 452090-00-5.
What is the molecular formula of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide?
The molecular formula of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide is C15H15NO3S2.
What is the molecular weight of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide?
The molecular weight of 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide is 321.05 g/mol.
Where can I buy 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide?
You can request a quote for 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2H-naphtho[1,8-bc]thiophene-6-sulfonic acid diethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.