1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
TL;DR: 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one (CAS 133536-28-4) is a chemical compound with molecular formula C27H32O2S and molecular weight 420.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6S)-8,11,11-trimethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one
Also Known As: 1-Btptbu, 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one, (1R,6S)-8,11,11-trimethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one, 8,11,11-Trimethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one, 1-(Benzyloxy)-8,11,11-trimethyl-6-(phenylsulfanyl)bicyclo[5.3.1]undec-7-en-3-one
| Molecular Formula | C27H32O2S |
|---|---|
| Molecular Weight | 420.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.2123 |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 133536-28-4 |
|---|---|
| SMILES | CC1=C2[C@H](CCC(=O)C[C@@](C2(C)C)(CC1)OCC3=CC=CC=C3)SC4=CC=CC=C4 |
| InChIKey | BDGSMSWNOIYMSW-RPLLCQBOSA-N |
Product Overview
1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one (CAS 133536-28-4), with molecular formula C27H32O2S and molecular weight 420.21 g/mol. IUPAC: (1R,6S)-8,11,11-trimethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one.
Chemical Property Profile of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
Property Insights of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
The XLogP value of 5.2 indicates that 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The CAS number of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is 133536-28-4.
What is the molecular formula of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The molecular formula of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is C27H32O2S.
What is the molecular weight of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The molecular weight of 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is 420.21 g/mol.
Where can I buy 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
You can request a quote for 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.