Cularimine
TL;DR: Cularimine (CAS 479-42-5) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S)-5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene
Also Known As: Cularimine, J2.769.822K, (10S)-5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene, (12aS)-6,9,10-Trimethoxy-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline, (10S)-5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3,5,7,14,16-hexaene
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 479-42-5 |
|---|---|
| SMILES | COC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1 |
| InChIKey | KTKYPZQQXSZXCE-ZDUSSCGKSA-N |
Product Overview
Cularimine (CAS 479-42-5), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (10S)-5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene.
Chemical Property Profile of Cularimine
Property Insights of Cularimine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cularimine. With a topological polar surface area (TPSA) of 49.0 Ų, Cularimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cularimine 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 Cularimine?
The CAS number of Cularimine is 479-42-5.
What is the molecular formula of Cularimine?
The molecular formula of Cularimine is C19H21NO4.
What is the molecular weight of Cularimine?
The molecular weight of Cularimine is 327.15 g/mol.
Where can I buy Cularimine?
You can request a quote for Cularimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cularimine?
Yes, KEHONG BIO provides custom synthesis services for Cularimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.