EINECS 236-561-5
TL;DR: EINECS 236-561-5 (CAS 13434-00-9) is a chemical compound with molecular formula C28H46O2 and molecular weight 414.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: 2-ethylhexyl abieta-7,13-dien-18-oate, 2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate, 2-Ethylhexyl (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate, 2-ethylhexyl [1R-(1alpha,4abeta,4balpha,10a.alpha)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-ethylhexyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
| Molecular Formula | C28H46O2 |
|---|---|
| Molecular Weight | 414.35 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.3498 |
| Heavy Atoms | 30 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 13434-00-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C |
| InChIKey | NOOLKHUGCQHDQZ-UHFFFAOYSA-N |
Product Overview
EINECS 236-561-5 (CAS 13434-00-9), with molecular formula C28H46O2 and molecular weight 414.35 g/mol. IUPAC: 2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of EINECS 236-561-5
Property Insights of EINECS 236-561-5
The XLogP value of 8.2 indicates that EINECS 236-561-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, EINECS 236-561-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 236-561-5 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 236-561-5?
The CAS number of EINECS 236-561-5 is 13434-00-9.
What is the molecular formula of EINECS 236-561-5?
The molecular formula of EINECS 236-561-5 is C28H46O2.
What is the molecular weight of EINECS 236-561-5?
The molecular weight of EINECS 236-561-5 is 414.35 g/mol.
Where can I buy EINECS 236-561-5?
You can request a quote for EINECS 236-561-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 236-561-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 236-561-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.