delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-
TL;DR: delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- (CAS 16700-11-1) is a chemical compound with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2E)-2-[(6S)-6-acetyloxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]acetyl]oxyethyl-dimethylazanium chloride
Also Known As: delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-, delta(sup 2(1H),alpha)-NAPHTHALENEACETIC ACID, 3,4,4a-alpha,5,6,7,8,8a-alpha-OCT, 2-[(2E)-2-[(6S)-6-acetyloxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]acetyl]oxyethyl-dimethylazanium chloride
| Molecular Formula | C18H30ClNO4 |
|---|---|
| Molecular Weight | 359.19 g/mol |
| LogP | -1.8636 |
| Topological Polar Surface Area | 57.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.18634 |
| Heavy Atoms | 24 |
| Complexity | 463.93512 |
Chemical Identifiers
| CAS Number | 16700-11-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2C/C(=C/C(=O)OCC[NH+](C)C)/CCC2C1.[Cl-] |
Product Overview
delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- (CAS 16700-11-1), with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol. IUPAC: 2-[(2E)-2-[(6S)-6-acetyloxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]acetyl]oxyethyl-dimethylazanium chloride.
Chemical Property Profile of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-
Property Insights of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-
The XLogP value of -1.8636 indicates that delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.04 Ų, delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- has 1 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 delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-?
The CAS number of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- is 16700-11-1.
What is the molecular formula of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-?
The molecular formula of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- is C18H30ClNO4.
What is the molecular weight of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-?
The molecular weight of delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- is 359.19 g/mol.
Where can I buy delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-?
You can request a quote for delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for delta(sup 2(1H),alpha)-Naphthaleneacetic acid, 3,4,4a-alpha,5,6,7,8,8a-alpha-octahydro-6-beta-hydroxy-, 2-(dimethylamino)ethyl ester, acetate (ester), hydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.