![12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene structure](/static/products/989/98987-34-9.png)
12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene
TL;DR: 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene (CAS 98987-34-9) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-tert-butyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
Also Known As: TimTec1_001566, BAS 00087319, AB00710070-01, AB00710070-03, 12-(tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 98987-34-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCO2 |
| InChIKey | BFPAFZVCNDTCBY-UHFFFAOYSA-N |
Product Overview
12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene (CAS 98987-34-9), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 14-tert-butyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.
Chemical Property Profile of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene
Property Insights of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene. With a topological polar surface area (TPSA) of 36.9 Ų, 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene 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 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene?
The CAS number of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene is 98987-34-9.
What is the molecular formula of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene?
The molecular formula of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene is C16H24O4.
What is the molecular weight of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene?
The molecular weight of 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene is 280.17 g/mol.
Where can I buy 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene?
You can request a quote for 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene?
Yes, KEHONG BIO provides custom synthesis services for 12-(Tert-butyl)-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.