![4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one structure](/static/products/6315/63154-98-3.webp)
4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one
TL;DR: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one (CAS 63154-98-3) is a chemical compound with molecular formula C16H27NO2S2 and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one
Also Known As: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one, 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahyd, 4-(Dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2(3H)-one
| Molecular Formula | C16H27NO2S2 |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.14832 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 63154-98-3 |
|---|---|
| SMILES | CCSC1(C(C2=C(CCCCC2)OC1=O)N(C)C)SCC |
| InChIKey | CCUKNXILYRZVMB-UHFFFAOYSA-N |
Product Overview
4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one (CAS 63154-98-3), with molecular formula C16H27NO2S2 and molecular weight 329.15 g/mol. IUPAC: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one.
Chemical Property Profile of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one
Property Insights of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one
The XLogP value of 3.5 indicates that 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one. Following Lipinski's Rule of Five, 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one has 0 hydrogen bond donor(s) and 5 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 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one?
The CAS number of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one is 63154-98-3.
What is the molecular formula of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one?
The molecular formula of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one is C16H27NO2S2.
What is the molecular weight of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one?
The molecular weight of 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one is 329.15 g/mol.
Where can I buy 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one?
You can request a quote for 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.