Roemerolidine
TL;DR: Roemerolidine (CAS 112494-61-8) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,13S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene-13,16-diol
Also Known As: Roemerolidine, (7aS,8S)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline-8,10-diol, 7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline-8,10-diol, RefChem:379335
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 112494-61-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1[C@H](C5=C4C=CC(=C5)O)O)OCO3 |
| InChIKey | ZGGXXOSROSMGGX-IRXDYDNUSA-N |
Product Overview
Roemerolidine (CAS 112494-61-8), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: (12S,13S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene-13,16-diol.
Chemical Property Profile of Roemerolidine
Property Insights of Roemerolidine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roemerolidine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Roemerolidine. Following Lipinski's Rule of Five, Roemerolidine has 2 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 Roemerolidine?
The CAS number of Roemerolidine is 112494-61-8.
What is the molecular formula of Roemerolidine?
The molecular formula of Roemerolidine is C18H17NO4.
What is the molecular weight of Roemerolidine?
The molecular weight of Roemerolidine is 311.12 g/mol.
Where can I buy Roemerolidine?
You can request a quote for Roemerolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roemerolidine?
Yes, KEHONG BIO provides custom synthesis services for Roemerolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.