9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-
TL;DR: 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- (CAS 76026-39-6) is a chemical compound with molecular formula C29H47F and molecular weight 414.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,4E,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-[(2Z)-2-[(5R)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
Also Known As: 6-Arsenogluconate, 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-, (1R,3aS,4E,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-[(2Z)-2-[(5R)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
| Molecular Formula | C29H47F |
|---|---|
| Molecular Weight | 414.37 g/mol |
| LogP | 9.2323 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.36618 |
| Heavy Atoms | 30 |
| Complexity | 653.2747 |
Chemical Identifiers
| CAS Number | 76026-39-6 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)F)C)C(C)C |
Product Overview
9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- (CAS 76026-39-6), with molecular formula C29H47F and molecular weight 414.37 g/mol. IUPAC: (1R,3aS,4E,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-[(2Z)-2-[(5R)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene.
Chemical Property Profile of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-
Property Insights of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-
The XLogP value of 9.2323 indicates that 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- 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 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-?
The CAS number of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- is 76026-39-6.
What is the molecular formula of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-?
The molecular formula of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- is C29H47F.
What is the molecular weight of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-?
The molecular weight of 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- is 414.37 g/mol.
Where can I buy 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-?
You can request a quote for 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Secostigmasta-5,7,10(19)-triene, 3-fluoro-, (3beta,5Z,7E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.