白坚木碱
TL;DR: 白坚木碱 (CAS 466-49-9) is a chemical compound with molecular formula C22H30N2O2 and molecular weight 354.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白坚木碱
1-[(1R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Also Known As: Aspidospermin
| Molecular Formula | C22H30N2O2 |
|---|---|
| Molecular Weight | 354.23 g/mol |
| LogP | 3.7264 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.23074 |
| Heavy Atoms | 26 |
| Complexity | 762.50916 |
Chemical Identifiers
| CAS Number | 466-49-9 |
|---|---|
| SMILES | CC[C@]12CCCN3[C@H]1[C@@]4(CC3)C(CC2)N(C5=C4C=CC=C5OC)C(=O)C |
Product Overview
白坚木碱 (CAS 466-49-9), with molecular formula C22H30N2O2 and molecular weight 354.23 g/mol. IUPAC: 1-[(1R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone.
Chemical Property Profile of 白坚木碱
Property Insights of 白坚木碱
The XLogP value of 3.7264 indicates that 白坚木碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 白坚木碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白坚木碱 has 0 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 白坚木碱?
The CAS number of 白坚木碱 is 466-49-9.
What is the molecular formula of 白坚木碱?
The molecular formula of 白坚木碱 is C22H30N2O2.
What is the molecular weight of 白坚木碱?
The molecular weight of 白坚木碱 is 354.23 g/mol.
Where can I buy 白坚木碱?
You can request a quote for 白坚木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白坚木碱?
Yes, KEHONG BIO provides custom synthesis services for 白坚木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.