3-Acetylnerbowdine
TL;DR: 3-Acetylnerbowdine (CAS 100196-22-3) is a chemical compound with molecular formula C19H23NO6 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,13R,15R,17R)-17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-yl] acetate
Also Known As: 3-Acetylnerbowdine, HY-N15295, 7-Methoxycrinan-1alpha,3alpha-diol 3-acetate, J2.766.060F, (5xi)-1alpha-Hydroxy-7-methoxycrinan-3alpha-yl acetate
| Molecular Formula | C19H23NO6 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.15253 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 100196-22-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)[C@@H](C1)O |
| InChIKey | BSVABPABKQCTBP-GZJVQYRHSA-N |
Product Overview
3-Acetylnerbowdine (CAS 100196-22-3), with molecular formula C19H23NO6 and molecular weight 361.15 g/mol. IUPAC: [(1S,13R,15R,17R)-17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-yl] acetate.
Chemical Property Profile of 3-Acetylnerbowdine
Property Insights of 3-Acetylnerbowdine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylnerbowdine. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetylnerbowdine. Following Lipinski's Rule of Five, 3-Acetylnerbowdine has 1 hydrogen bond donor(s) and 7 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 3-Acetylnerbowdine?
The CAS number of 3-Acetylnerbowdine is 100196-22-3.
What is the molecular formula of 3-Acetylnerbowdine?
The molecular formula of 3-Acetylnerbowdine is C19H23NO6.
What is the molecular weight of 3-Acetylnerbowdine?
The molecular weight of 3-Acetylnerbowdine is 361.15 g/mol.
Where can I buy 3-Acetylnerbowdine?
You can request a quote for 3-Acetylnerbowdine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylnerbowdine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylnerbowdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.