SQ 31906
TL;DR: SQ 31906 (CAS 127274-63-9) is a chemical compound with molecular formula C23H36O7 and molecular weight 424.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-7-[3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
Also Known As: SQ 31906, 3,5-Dihydroxy-7-{3-hydroxy-2-methyl-8-[(2-methylbutanoyl)oxy]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl}heptanoic acid, 3,5-Dihydroxy-7-(3-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,3,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid, 3,5-dihydroxy-7-[3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
| Molecular Formula | C23H36O7 |
|---|---|
| Molecular Weight | 424.25 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.2461 |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 127274-63-9 |
|---|---|
| SMILES | CC[C@H](C)C(=O)OC1CC=CC2=CC(C(C(C12)CCC(CC(CC(=O)O)O)O)C)O |
| InChIKey | HIZIJHNJVQOXLO-BTIATZOXSA-N |
Product Overview
SQ 31906 (CAS 127274-63-9), with molecular formula C23H36O7 and molecular weight 424.25 g/mol. IUPAC: 3,5-dihydroxy-7-[3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid.
Chemical Property Profile of SQ 31906
Property Insights of SQ 31906
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SQ 31906. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SQ 31906. Following Lipinski's Rule of Five, SQ 31906 has 4 hydrogen bond donor(s) and 7 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 SQ 31906?
The CAS number of SQ 31906 is 127274-63-9.
What is the molecular formula of SQ 31906?
The molecular formula of SQ 31906 is C23H36O7.
What is the molecular weight of SQ 31906?
The molecular weight of SQ 31906 is 424.25 g/mol.
Where can I buy SQ 31906?
You can request a quote for SQ 31906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 31906?
Yes, KEHONG BIO provides custom synthesis services for SQ 31906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.