RefChem:1067070
TL;DR: RefChem:1067070 (CAS 18638-94-3) is a chemical compound with molecular formula C21H29ClN2O3 and molecular weight 392.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(9-methyl-8-oxo-6,7-dihydro-5H-carbazole-3-carbonyl)oxypropyl]azanium chloride
Also Known As: Of 2442, 5,6,7,8-Tetrahydro-9-methyl-8-oxocarbazole-3-carboxylic acid 3-(diethylamino)propyl ester HCl, diethyl-[3-(9-methyl-8-oxo-6,7-dihydro-5H-carbazole-3-carbonyl)oxypropyl]azanium chloride, Carbazole-3-carboxylic acid, 5,6,7,8-tetrahydro-9-methyl-8-oxo-, 3-(diethylamino)propyl ester,monohydrochloride, 3-(Diethylamino)propyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C21H29ClN2O3 |
|---|---|
| Molecular Weight | 392.19 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.18668 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 18638-94-3 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC2=C(C=C1)N(C3=C2CCCC3=O)C.[Cl-] |
| InChIKey | SDICYERAKGLDKP-UHFFFAOYSA-N |
Product Overview
RefChem:1067070 (CAS 18638-94-3), with molecular formula C21H29ClN2O3 and molecular weight 392.19 g/mol. IUPAC: diethyl-[3-(9-methyl-8-oxo-6,7-dihydro-5H-carbazole-3-carbonyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:1067070
Property Insights of RefChem:1067070
The XLogP value of -0.83 indicates that RefChem:1067070 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.7 Ų, RefChem:1067070 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067070 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 RefChem:1067070?
The CAS number of RefChem:1067070 is 18638-94-3.
What is the molecular formula of RefChem:1067070?
The molecular formula of RefChem:1067070 is C21H29ClN2O3.
What is the molecular weight of RefChem:1067070?
The molecular weight of RefChem:1067070 is 392.19 g/mol.
Where can I buy RefChem:1067070?
You can request a quote for RefChem:1067070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067070?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.