trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
TL;DR: trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide (CAS 84666-71-7) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-3-(1-hydroxy-6-methylheptyl)oxolan-2-one
Also Known As: MHHMB, 2-3-hydroxymethyl-4-butanolide, 2- -3-hydroxymethyl-4-butanolide, J2.441.695J, 2-(6'-Methylheptanoyl)-3-hydroxymethyl-4-butanolide
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 84666-71-7 |
|---|---|
| SMILES | CC(C)CCCCC(C1C(COC1=O)CO)O |
| InChIKey | XRKZVXDFKCVICZ-UHFFFAOYSA-N |
Product Overview
trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide (CAS 84666-71-7), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: 4-(hydroxymethyl)-3-(1-hydroxy-6-methylheptyl)oxolan-2-one.
Chemical Property Profile of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
Property Insights of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide. Following Lipinski's Rule of Five, trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide has 2 hydrogen bond donor(s) and 4 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 trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide?
The CAS number of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide is 84666-71-7.
What is the molecular formula of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide?
The molecular formula of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide is C13H24O4.
What is the molecular weight of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide?
The molecular weight of trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide is 244.17 g/mol.
Where can I buy trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide?
You can request a quote for trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide?
Yes, KEHONG BIO provides custom synthesis services for trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.