(3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole
TL;DR: (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole (CAS 85695-57-4) is a chemical compound with molecular formula C11H21NS and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole
Also Known As: (3aR,7aR)-3-Butyloctahydro-1,3-benzothiazole, (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole, (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazo
| Molecular Formula | C11H21NS |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.13947 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 85695-57-4 |
|---|---|
| SMILES | CCCCN1CS[C@H]2[C@H]1CCCC2 |
| InChIKey | FLQVUAHMUVBWNB-GHMZBOCLSA-N |
Product Overview
(3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole (CAS 85695-57-4), with molecular formula C11H21NS and molecular weight 199.14 g/mol. IUPAC: (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole.
Chemical Property Profile of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole
Property Insights of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole
The XLogP value of 3.4 indicates that (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 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 (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole?
The CAS number of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole is 85695-57-4.
What is the molecular formula of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole?
The molecular formula of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole is C11H21NS.
What is the molecular weight of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole?
The molecular weight of (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole is 199.14 g/mol.
Where can I buy (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole?
You can request a quote for (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for (3aR,7aR)-3-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.