E 3800
TL;DR: E 3800 (CAS 150433-16-2) is a chemical compound with molecular formula C23H29Cl2N2O6P and molecular weight 530.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 3800
2-(3,4-dichlorophenyl)-N-[(1R,2R)-6-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;phosphoric acid
Also Known As: E 3800, E-3800, 3,4-Dichloro-N-methyl-N-(1,2,3,4-tetrahydro-6-hydroxy-2-(pyrrolidin-1-yl)naphth-1-yl)benzeneacetamide, 2-(3,4-dichlorophenyl)-N-[(1R,2R)-6-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;phosphoric acid, Benzeneacetamide, 3,4-dichloro-N-methyl-N-(1,2,3,4-tetrahydro-6-hydroxy-2-(1-pyrrolidinyl)-1-naphthalenyl)-, trans-(+-)-, phosphate (1:1) (salt)
| Molecular Formula | C23H29Cl2N2O6P |
|---|---|
| Molecular Weight | 530.11 g/mol |
| LogP | 3.9232 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 530.114 |
| Heavy Atoms | 34 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 150433-16-2 |
|---|---|
| SMILES | CN([C@H]1[C@@H](CCC2=C1C=CC(=C2)O)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.OP(=O)(O)O |
| InChIKey | KBWFWZRYQGXZQJ-BLDCTAJRSA-N |
Product Overview
E 3800 (CAS 150433-16-2), with molecular formula C23H29Cl2N2O6P and molecular weight 530.11 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-N-[(1R,2R)-6-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;phosphoric acid.
Chemical Property Profile of E 3800
Property Insights of E 3800
The XLogP value of 3.9232 indicates that E 3800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for E 3800. Following Lipinski's Rule of Five, E 3800 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E 3800?
The CAS number of E 3800 is 150433-16-2.
What is the molecular formula of E 3800?
The molecular formula of E 3800 is C23H29Cl2N2O6P.
What is the molecular weight of E 3800?
The molecular weight of E 3800 is 530.11 g/mol.
Where can I buy E 3800?
You can request a quote for E 3800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 3800?
Yes, KEHONG BIO provides custom synthesis services for E 3800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.