丙二酸甲乙酯
TL;DR: 丙二酸甲乙酯 (CAS 6186-89-6) is a chemical compound with molecular formula C27H46N2O and molecular weight 414.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酸甲乙酯
4-nonyl-2,6-bis(piperidin-1-ylmethyl)phenol
Also Known As: 4-nonyl-2,6-bis phenol, 4-nonyl-2,6-bis(piperidin-1-ylmethyl)phenol, ethyl (2E)-2-(hydroxyimino)-3-oxobutanoate, 4-Nonyl-2,6-bis[(piperidin-1-yl)methyl]phenol
| Molecular Formula | C27H46N2O |
|---|---|
| Molecular Weight | 414.36 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 414.36102 |
| Heavy Atoms | 30 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 6186-89-6 |
|---|---|
| SMILES | CCCCCCCCCC1=CC(=C(C(=C1)CN2CCCCC2)O)CN3CCCCC3 |
| InChIKey | GLUITSRIGSTEOE-UHFFFAOYSA-N |
Product Overview
丙二酸甲乙酯 (CAS 6186-89-6), with molecular formula C27H46N2O and molecular weight 414.36 g/mol. IUPAC: 4-nonyl-2,6-bis(piperidin-1-ylmethyl)phenol.
Chemical Property Profile of 丙二酸甲乙酯
Property Insights of 丙二酸甲乙酯
The XLogP value of 7.5 indicates that 丙二酸甲乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, 丙二酸甲乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二酸甲乙酯 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丙二酸甲乙酯?
The CAS number of 丙二酸甲乙酯 is 6186-89-6.
What is the molecular formula of 丙二酸甲乙酯?
The molecular formula of 丙二酸甲乙酯 is C27H46N2O.
What is the molecular weight of 丙二酸甲乙酯?
The molecular weight of 丙二酸甲乙酯 is 414.36 g/mol.
Where can I buy 丙二酸甲乙酯?
You can request a quote for 丙二酸甲乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酸甲乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二酸甲乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.