RefChem:1068103
TL;DR: RefChem:1068103 (CAS 53757-90-7) is a chemical compound with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride
Also Known As: Benz(a)azulen-6,9-imin-10(4bh)-one, 5,6,7,8,9,9a-hexahydro-3-methoxy-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-, 3-Methoxy-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1), BENZ(a)AZULEN-6,9-IMIN-10(4bH)-ONE, 5,6,7,8,9,9a-HEXAHYDRO-3-METHOXY-11-METHYL-,, RefChem:1068103
| Molecular Formula | C16H20ClNO2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11826 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 53757-90-7 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@@H]3[C@H](C2)C4=C(C3=O)C=CC(=C4)OC.[Cl-] |
| InChIKey | MMLRYXBNTQWDJN-IRSBFQLPSA-N |
Product Overview
RefChem:1068103 (CAS 53757-90-7), with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol. IUPAC: (2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride.
Chemical Property Profile of RefChem:1068103
Property Insights of RefChem:1068103
The XLogP value of -1.96 indicates that RefChem:1068103 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1068103 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068103 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 RefChem:1068103?
The CAS number of RefChem:1068103 is 53757-90-7.
What is the molecular formula of RefChem:1068103?
The molecular formula of RefChem:1068103 is C16H20ClNO2.
What is the molecular weight of RefChem:1068103?
The molecular weight of RefChem:1068103 is 293.12 g/mol.
Where can I buy RefChem:1068103?
You can request a quote for RefChem:1068103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068103?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.