7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
TL;DR: 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene (CAS 118326-90-2) is a chemical compound with molecular formula C14H15Br and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,10aS)-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene
Also Known As: 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene, 7-Bromo-1,2,3,4,4a,10a-hexahydrophenanthrene, trans-, 7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene, (4aR,10aS)-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene, trans-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene
| Molecular Formula | C14H15Br |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.0357 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 118326-90-2 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)C=CC3=C2C=CC(=C3)Br |
| InChIKey | JYZYMYQSKZTOAC-GXFFZTMASA-N |
Product Overview
7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene (CAS 118326-90-2), with molecular formula C14H15Br and molecular weight 262.04 g/mol. IUPAC: (4aR,10aS)-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene.
Chemical Property Profile of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
Property Insights of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
The XLogP value of 5.2 indicates that 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The CAS number of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is 118326-90-2.
What is the molecular formula of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The molecular formula of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is C14H15Br.
What is the molecular weight of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The molecular weight of 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is 262.04 g/mol.
Where can I buy 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
You can request a quote for 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.