YM-1-31
TL;DR: YM-1-31 (CAS 71277-22-0) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-7-yl) acetate
Also Known As: YM-1-31, (4-Methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-7-yl) acetate, 1a-Methyl-5,8-dimethylidene-9-oxododecahydrooxireno[9,10]cyclodeca[1,2-b]furan-4-yl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 71277-22-0 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(O2)C3C(CCC1=C)C(=C)C(=O)O3)C |
| InChIKey | NJRUPSAKHHQVRY-UHFFFAOYSA-N |
Product Overview
YM-1-31 (CAS 71277-22-0), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: (4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-7-yl) acetate.
Chemical Property Profile of YM-1-31
Property Insights of YM-1-31
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM-1-31. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for YM-1-31. Following Lipinski's Rule of Five, YM-1-31 has 0 hydrogen bond donor(s) and 5 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 YM-1-31?
The CAS number of YM-1-31 is 71277-22-0.
What is the molecular formula of YM-1-31?
The molecular formula of YM-1-31 is C17H22O5.
What is the molecular weight of YM-1-31?
The molecular weight of YM-1-31 is 306.15 g/mol.
Where can I buy YM-1-31?
You can request a quote for YM-1-31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM-1-31?
Yes, KEHONG BIO provides custom synthesis services for YM-1-31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.