7N-449S
TL;DR: 7N-449S (CAS 339019-25-9) is a chemical compound with molecular formula C16H18O2S3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propan-2-ylphenyl)sulfanyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
Also Known As: 7N-449S, 4-(4-propan-2-ylphenyl)sulfanyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide, 4-[(4-isopropylphenyl)sulfanyl]-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione, 4-{[4-(propan-2-yl)phenyl]sulfanyl}-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dione
| Molecular Formula | C16H18O2S3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.8823 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0469 |
| Heavy Atoms | 21 |
| Complexity | 727.1375 |
Chemical Identifiers
| CAS Number | 339019-25-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)SC2CCS(=O)(=O)C3=C2C=CS3 |
Product Overview
7N-449S (CAS 339019-25-9), with molecular formula C16H18O2S3 and molecular weight 338.05 g/mol. IUPAC: 4-(4-propan-2-ylphenyl)sulfanyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide.
Chemical Property Profile of 7N-449S
Property Insights of 7N-449S
The XLogP value of 4.8823 indicates that 7N-449S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 7N-449S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-449S 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 7N-449S?
The CAS number of 7N-449S is 339019-25-9.
What is the molecular formula of 7N-449S?
The molecular formula of 7N-449S is C16H18O2S3.
What is the molecular weight of 7N-449S?
The molecular weight of 7N-449S is 338.05 g/mol.
Where can I buy 7N-449S?
You can request a quote for 7N-449S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-449S?
Yes, KEHONG BIO provides custom synthesis services for 7N-449S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.