racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-
TL;DR: racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- (CAS 10074-51-8) is a chemical compound with molecular formula C18H26O3S and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(butylsulfanylmethylidene)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecane-3,9-dione
Also Known As: racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-, 7-[(butylsulfanyl)methylidene]-2a,5a-dimethyloctahydro-2h-naphtho[1,8-bc]furan-2,6(2ah)-dione
| Molecular Formula | C18H26O3S |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16028 |
| Heavy Atoms | 22 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 10074-51-8 |
|---|---|
| SMILES | CCCCSC=C1CC2C3C(C1=O)(CCCC3(C(=O)O2)C)C |
| InChIKey | LBYJPWLLGLXJAE-UHFFFAOYSA-N |
Product Overview
racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- (CAS 10074-51-8), with molecular formula C18H26O3S and molecular weight 322.16 g/mol. IUPAC: 10-(butylsulfanylmethylidene)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecane-3,9-dione.
Chemical Property Profile of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-
Property Insights of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-
The XLogP value of 3.8 indicates that racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- 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 racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-. Following Lipinski's Rule of Five, racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- 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 racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-?
The CAS number of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- is 10074-51-8.
What is the molecular formula of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-?
The molecular formula of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- is C18H26O3S.
What is the molecular weight of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-?
The molecular weight of racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- is 322.16 g/mol.
Where can I buy racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-?
You can request a quote for racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for racem-cis-6-Butylmercaptomethylen-8-alpha-hydroxy-1,4a-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.