1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
TL;DR: 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one (CAS 129720-17-8) is a chemical compound with molecular formula C28H34O2S and molecular weight 434.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,6S)-4,8,11,11-tetramethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one
Also Known As: BTPBU, 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one, (4-endo,6-exo)-(+-)-4,8,11,11-Tetramethyl-1-(phenylmethoxy)-6-(phenylthio)bicyclo(5.3.1)undec-7-en-3-one, (2S,4S,7R)-4,10,11,11-tetramethyl-7-phenylmethoxy-2-phenylsulfanylbicyclo[5.3.1]undec-1(10)-en-5-one, Bicyclo(5.3.1)undec-7-en-3-one, 4,8,11,11-tetramethyl-1-(phenylmethoxy)-6-(phenylthio)-, (4-endo,6-exo)-(+-)-
| Molecular Formula | C28H34O2S |
|---|---|
| Molecular Weight | 434.23 g/mol |
| LogP | 7.2384 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.22797 |
| Heavy Atoms | 31 |
| Complexity | 947.49243 |
Chemical Identifiers
| CAS Number | 129720-17-8 |
|---|---|
| SMILES | C[C@H]1C[C@@H](C2=C(CC[C@](C2(C)C)(CC1=O)OCC3=CC=CC=C3)C)SC4=CC=CC=C4 |
Product Overview
1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one (CAS 129720-17-8), with molecular formula C28H34O2S and molecular weight 434.23 g/mol. IUPAC: (1R,4S,6S)-4,8,11,11-tetramethyl-1-phenylmethoxy-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one.
Chemical Property Profile of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
Property Insights of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
The XLogP value of 7.2384 indicates that 1-Benzyloxy-4,8,11,11-tetramethyl-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 26.3 Ų, 1-Benzyloxy-4,8,11,11-tetramethyl-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-4,8,11,11-tetramethyl-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-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The CAS number of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is 129720-17-8.
What is the molecular formula of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The molecular formula of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is C28H34O2S.
What is the molecular weight of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
The molecular weight of 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one is 434.23 g/mol.
Where can I buy 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
You can request a quote for 1-Benzyloxy-4,8,11,11-tetramethyl-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-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyloxy-4,8,11,11-tetramethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.