RefChem:1091388
TL;DR: RefChem:1091388 (CAS 117651-72-6) is a chemical compound with molecular formula C21H29ClN4O and molecular weight 388.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide;hydrochloride
Also Known As: 1-Ethyl-2-iminobenzimidazoline-3-acetic acid N-adamantylamide hydrochloride, 1H-Benzimidazole-1-acetamide, 2,3-dihydro-3-ethyl-2-imino-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, monohydrochloride, N-(1-Adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamidehydrochloride, N-(Adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1), N-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide hydrochloride
| Molecular Formula | C21H29ClN4O |
|---|---|
| Molecular Weight | 388.20 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.203 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 117651-72-6 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=N)CC(=O)NC34CC5CC(C3)CC(C5)C4.Cl |
| InChIKey | FTEIVTKZFNUTSF-UHFFFAOYSA-N |
Product Overview
RefChem:1091388 (CAS 117651-72-6), with molecular formula C21H29ClN4O and molecular weight 388.20 g/mol. IUPAC: N-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide;hydrochloride.
Chemical Property Profile of RefChem:1091388
Property Insights of RefChem:1091388
The XLogP value of 3.45 indicates that RefChem:1091388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, RefChem:1091388 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091388 has 3 hydrogen bond donor(s) and 2 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 RefChem:1091388?
The CAS number of RefChem:1091388 is 117651-72-6.
What is the molecular formula of RefChem:1091388?
The molecular formula of RefChem:1091388 is C21H29ClN4O.
What is the molecular weight of RefChem:1091388?
The molecular weight of RefChem:1091388 is 388.20 g/mol.
Where can I buy RefChem:1091388?
You can request a quote for RefChem:1091388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091388?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.