4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)
TL;DR: 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) (CAS 1876-65-9) is a chemical compound with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride
Also Known As: 17-Oxo-4-propyl-2,16,19,20-tetrahydrocuraninium chloride, Curaninium, 2,16,19,20-tetrahydro-17-oxo-4-propyl-, chloride, (11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde;chloride, 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1), (3aS,5S,E)-12-ethylidene-6-formyl-3-propyl-2,3,3a,4,5,7-hexahydro-1H-3,5-ethanopyrrolo[2,3-d]carbazol-3-ium chloride
| Molecular Formula | C22H27ClN2O |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 0.79 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.18118 |
| Heavy Atoms | 26 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 1876-65-9 |
|---|---|
| SMILES | CCC[N+]12CCC34[C@@H]1C[C@@H](C(=CC)C2)C(=C3NC5=CC=CC=C45)C=O.[Cl-] |
| InChIKey | ZZGJOPZZBFNVFU-RPXZPWFMSA-N |
Product Overview
4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) (CAS 1876-65-9), with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol. IUPAC: (11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride.
Chemical Property Profile of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)
Property Insights of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)
The XLogP value of 0.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 29.1 Ų, 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) 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 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)?
The CAS number of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) is 1876-65-9.
What is the molecular formula of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)?
The molecular formula of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) is C22H27ClN2O.
What is the molecular weight of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)?
The molecular weight of 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) is 370.18 g/mol.
Where can I buy 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)?
You can request a quote for 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.