(+/-)-Domesticine
TL;DR: (+/-)-Domesticine (CAS 40766-67-4) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
Also Known As: DL-Domesticine, Domesticine, (+/-)-Domesticine, Domesticine, (+/-)-, Domesticine DL-form [MI]
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 40766-67-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)O)OC |
| InChIKey | ZMNSHBTYBQNBPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+/-)-Domesticine (CAS 40766-67-4), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol.
Chemical Property Profile of (+/-)-Domesticine
Property Insights of (+/-)-Domesticine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-Domesticine. With a topological polar surface area (TPSA) of 51.2 Ų, (+/-)-Domesticine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+/-)-Domesticine has 1 hydrogen bond donor(s) and 5 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 (+/-)-Domesticine?
The CAS number of (+/-)-Domesticine is 40766-67-4.
What is the molecular formula of (+/-)-Domesticine?
The molecular formula of (+/-)-Domesticine is C19H19NO4.
What is the molecular weight of (+/-)-Domesticine?
The molecular weight of (+/-)-Domesticine is 325.13 g/mol.
Where can I buy (+/-)-Domesticine?
You can request a quote for (+/-)-Domesticine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)-Domesticine?
Yes, KEHONG BIO provides custom synthesis services for (+/-)-Domesticine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.