A3846_SIGMA
TL;DR: A3846_SIGMA (CAS 246246-19-5) is a chemical compound with molecular formula C24H31FO4 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
Also Known As: A3846_SIGMA, Tox21_500478, SDCCGSBI-0050035.P002, SID:125240973, AL-8810, >=98% (HPLC), solid
| Molecular Formula | C24H31FO4 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 3.8548 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.22064 |
| Heavy Atoms | 29 |
| Complexity | 719.1511 |
Chemical Identifiers
| CAS Number | 246246-19-5 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@H]1F)/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)C/C=C\CCCC(=O)O)O |
Product Overview
A3846_SIGMA (CAS 246246-19-5), with molecular formula C24H31FO4 and molecular weight 402.22 g/mol. IUPAC: (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid.
Chemical Property Profile of A3846_SIGMA
Property Insights of A3846_SIGMA
The XLogP value of 3.8548 indicates that A3846_SIGMA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A3846_SIGMA. Following Lipinski's Rule of Five, A3846_SIGMA has 3 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 A3846_SIGMA?
The CAS number of A3846_SIGMA is 246246-19-5.
What is the molecular formula of A3846_SIGMA?
The molecular formula of A3846_SIGMA is C24H31FO4.
What is the molecular weight of A3846_SIGMA?
The molecular weight of A3846_SIGMA is 402.22 g/mol.
Where can I buy A3846_SIGMA?
You can request a quote for A3846_SIGMA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3846_SIGMA?
Yes, KEHONG BIO provides custom synthesis services for A3846_SIGMA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.