Securinol B
TL;DR: Securinol B (CAS 119817-92-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,9R)-9-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one
Also Known As: Securinol B, 14,15-Dihydroallosecurinin-15beta-ol, KST-1A1347, (5r,6r,11as)-5-hydroxy-5,6,9,10,11,11a-hexahydro-8h-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(4h)-one, Securinol A,4,5-Dihydro-5-hydroxy-viro-allo-securinin
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 119817-92-4 |
|---|---|
| SMILES | C1CCN2[C@@H](C1)C34C[C@@H]2[C@@H](CC3=CC(=O)O4)O |
| InChIKey | OHLFUILALUNTGR-WHKIEGFNSA-N |
Product Overview
Securinol B (CAS 119817-92-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2S,8R,9R)-9-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one.
Chemical Property Profile of Securinol B
Property Insights of Securinol B
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Securinol B. With a topological polar surface area (TPSA) of 49.8 Ų, Securinol B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Securinol B 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 Securinol B?
The CAS number of Securinol B is 119817-92-4.
What is the molecular formula of Securinol B?
The molecular formula of Securinol B is C13H17NO3.
What is the molecular weight of Securinol B?
The molecular weight of Securinol B is 235.12 g/mol.
Where can I buy Securinol B?
You can request a quote for Securinol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Securinol B?
Yes, KEHONG BIO provides custom synthesis services for Securinol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.