Johnstonol
TL;DR: Johnstonol (CAS 35671-09-1) is a chemical compound with molecular formula C15H21Br2ClO3 and molecular weight 441.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
Also Known As: Johnstonol, 3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol, 6H-3,8a-Methanooxireno(d)(1)benzoxepin-2-ol, 3,7-dibromo-6-chlorooctahydro-6,8b,9,9-tetramethyl-, (1aR-(1aalpha,2alpha,3beta,4abeta,6beta,7alpha,8aalpha,8balpha))-, (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo(6.4.1.01,6.010,12)tridecan-9-ol, (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
| Molecular Formula | C15H21Br2ClO3 |
|---|---|
| Molecular Weight | 441.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 441.9546 |
| Heavy Atoms | 21 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 35671-09-1 |
|---|---|
| SMILES | CC1(C23CC(C(CC2OC1(C(C4C3(O4)C)O)Br)(C)Cl)Br)C |
| InChIKey | GQTRVJJQEJXMFF-UHFFFAOYSA-N |
Product Overview
Johnstonol (CAS 35671-09-1), with molecular formula C15H21Br2ClO3 and molecular weight 441.95 g/mol. IUPAC: 3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol.
Chemical Property Profile of Johnstonol
Property Insights of Johnstonol
The XLogP value of 3.2 indicates that Johnstonol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Johnstonol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Johnstonol has 1 hydrogen bond donor(s) and 3 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 Johnstonol?
The CAS number of Johnstonol is 35671-09-1.
What is the molecular formula of Johnstonol?
The molecular formula of Johnstonol is C15H21Br2ClO3.
What is the molecular weight of Johnstonol?
The molecular weight of Johnstonol is 441.95 g/mol.
Where can I buy Johnstonol?
You can request a quote for Johnstonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Johnstonol?
Yes, KEHONG BIO provides custom synthesis services for Johnstonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.