Mdl 105212A
TL;DR: Mdl 105212A (CAS 167261-59-8) is a chemical compound with molecular formula C34H40Cl3N3O5 and molecular weight 675.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide;hydrochloride
Also Known As: MDL 105212A, MDL-105212A, MDL 105,212 hydrochloride, MDL 105,212A, MDL-105,212A
| Molecular Formula | C34H40Cl3N3O5 |
|---|---|
| Molecular Weight | 675.20 g/mol |
| LogP | 6.1341 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 675.20337 |
| Heavy Atoms | 45 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 167261-59-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl.Cl |
| InChIKey | DAYXLOOGUORCMH-WAQYZQTGSA-N |
Product Overview
Mdl 105212A (CAS 167261-59-8), with molecular formula C34H40Cl3N3O5 and molecular weight 675.20 g/mol. IUPAC: 1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide;hydrochloride.
Chemical Property Profile of Mdl 105212A
Property Insights of Mdl 105212A
The XLogP value of 6.1341 indicates that Mdl 105212A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 105212A. Following Lipinski's Rule of Five, Mdl 105212A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mdl 105212A?
The CAS number of Mdl 105212A is 167261-59-8.
What is the molecular formula of Mdl 105212A?
The molecular formula of Mdl 105212A is C34H40Cl3N3O5.
What is the molecular weight of Mdl 105212A?
The molecular weight of Mdl 105212A is 675.20 g/mol.
Where can I buy Mdl 105212A?
You can request a quote for Mdl 105212A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 105212A?
Yes, KEHONG BIO provides custom synthesis services for Mdl 105212A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.