南天竹种碱
TL;DR: 南天竹种碱 (CAS 5440-48-2) 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.
南天竹种碱
(12S)-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: Domesticine, Nordomesticine, D-DOMESTICINE, DOMESTICINE [MI], (+)-DOMESTICINE
| 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 | 5440-48-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)O)OC |
| InChIKey | ZMNSHBTYBQNBPV-ZDUSSCGKSA-N |
Product Overview
南天竹种碱 (CAS 5440-48-2), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (12S)-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 南天竹种碱
Property Insights of 南天竹种碱
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 南天竹种碱. With a topological polar surface area (TPSA) of 51.2 Ų, 南天竹种碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 南天竹种碱 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 南天竹种碱?
The CAS number of 南天竹种碱 is 5440-48-2.
What is the molecular formula of 南天竹种碱?
The molecular formula of 南天竹种碱 is C19H19NO4.
What is the molecular weight of 南天竹种碱?
The molecular weight of 南天竹种碱 is 325.13 g/mol.
Where can I buy 南天竹种碱?
You can request a quote for 南天竹种碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 南天竹种碱?
Yes, KEHONG BIO provides custom synthesis services for 南天竹种碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.