3-Fluoro-9,10-secocholestatrien-5,7,10(19)
TL;DR: 3-Fluoro-9,10-secocholestatrien-5,7,10(19) (CAS 53839-02-4) is a chemical compound with molecular formula C27H43F and molecular weight 386.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
Also Known As: 3-Fluoro-9,10-secocholesta-5,7,10(19)-triene, 3-Fluoro-9,10-secocholestatrien-5,7,10(19), 3alpha-Fluoro-9,10-secocholestatrien-5,7,10(19), 3 alpha-fluoro-9,10-secocholestatrien-5,7,10(19), (1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
| Molecular Formula | C27H43F |
|---|---|
| Molecular Weight | 386.33 g/mol |
| LogP | 8.5962 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.33487 |
| Heavy Atoms | 28 |
| Complexity | 609.75183 |
Chemical Identifiers
| CAS Number | 53839-02-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)F)C |
Product Overview
3-Fluoro-9,10-secocholestatrien-5,7,10(19) (CAS 53839-02-4), with molecular formula C27H43F and molecular weight 386.33 g/mol. IUPAC: (1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene.
Chemical Property Profile of 3-Fluoro-9,10-secocholestatrien-5,7,10(19)
Property Insights of 3-Fluoro-9,10-secocholestatrien-5,7,10(19)
The XLogP value of 8.5962 indicates that 3-Fluoro-9,10-secocholestatrien-5,7,10(19) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluoro-9,10-secocholestatrien-5,7,10(19) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-9,10-secocholestatrien-5,7,10(19) 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 3-Fluoro-9,10-secocholestatrien-5,7,10(19)?
The CAS number of 3-Fluoro-9,10-secocholestatrien-5,7,10(19) is 53839-02-4.
What is the molecular formula of 3-Fluoro-9,10-secocholestatrien-5,7,10(19)?
The molecular formula of 3-Fluoro-9,10-secocholestatrien-5,7,10(19) is C27H43F.
What is the molecular weight of 3-Fluoro-9,10-secocholestatrien-5,7,10(19)?
The molecular weight of 3-Fluoro-9,10-secocholestatrien-5,7,10(19) is 386.33 g/mol.
Where can I buy 3-Fluoro-9,10-secocholestatrien-5,7,10(19)?
You can request a quote for 3-Fluoro-9,10-secocholestatrien-5,7,10(19) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-9,10-secocholestatrien-5,7,10(19)?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-9,10-secocholestatrien-5,7,10(19) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.