Inmecarb
TL;DR: Inmecarb (CAS 112359-50-9) is a chemical compound with molecular formula C22H27ClN2O2 and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate;hydrochloride
Also Known As: Inmecarb, Inmercarb, beta-Dimethylaminoethyl 1-benzyl-2,3-dimethylindole-5-carboxylate, 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate;hydrochloride, 2-dimethylaminoethyl 1-benzyl-2,3-dimethylindole-5-carboxylate hydrochloride
| Molecular Formula | C22H27ClN2O2 |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 4.44664 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.17612 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 112359-50-9 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C.Cl |
| InChIKey | APWVKGJPTUOEGN-UHFFFAOYSA-N |
Product Overview
Inmecarb (CAS 112359-50-9), with molecular formula C22H27ClN2O2 and molecular weight 386.18 g/mol. IUPAC: 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate;hydrochloride.
Chemical Property Profile of Inmecarb
Property Insights of Inmecarb
The XLogP value of 4.44664 indicates that Inmecarb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Inmecarb exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Inmecarb has 1 hydrogen bond donor(s) and 3 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 Inmecarb?
The CAS number of Inmecarb is 112359-50-9.
What is the molecular formula of Inmecarb?
The molecular formula of Inmecarb is C22H27ClN2O2.
What is the molecular weight of Inmecarb?
The molecular weight of Inmecarb is 386.18 g/mol.
Where can I buy Inmecarb?
You can request a quote for Inmecarb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inmecarb?
Yes, KEHONG BIO provides custom synthesis services for Inmecarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.