![[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol structure](/static/products/5224/522-47-4.webp)
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
TL;DR: [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol (CAS 522-47-4) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,12S,13R,14R)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
Also Known As: [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 522-47-4 |
|---|---|
| SMILES | CC=C1CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)OC)CO |
| InChIKey | YTIVOMMYBBBYFH-BIGGFVEDSA-N |
Product Overview
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol (CAS 522-47-4), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: [(1S,12S,13R,14R)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol.
Chemical Property Profile of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Property Insights of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol. With a topological polar surface area (TPSA) of 48.5 Ų, [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol has 2 hydrogen bond donor(s) and 3 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 [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol?
The CAS number of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol is 522-47-4.
What is the molecular formula of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol?
The molecular formula of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol is C20H24N2O2.
What is the molecular weight of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol?
The molecular weight of [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol is 324.18 g/mol.
Where can I buy [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol?
You can request a quote for [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol?
Yes, KEHONG BIO provides custom synthesis services for [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraen-13-yl]methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.