(1'beta)-10,11-Dimethoxytubulosan-8'-ol
TL;DR: (1'beta)-10,11-Dimethoxytubulosan-8'-ol (CAS 6344-16-7) is a chemical compound with molecular formula C29H37N3O3 and molecular weight 475.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Also Known As: Isotubulosine, Tubulosine, 1 -Isotubulosine, 10,11-Dimethoxytubulosan-8'-ol, KST-1A6947
| Molecular Formula | C29H37N3O3 |
|---|---|
| Molecular Weight | 475.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.28348 |
| Heavy Atoms | 35 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 6344-16-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC |
| InChIKey | JRVWIILYWSBUMC-CMWZJFIZSA-N |
Product Overview
(1'beta)-10,11-Dimethoxytubulosan-8'-ol (CAS 6344-16-7), with molecular formula C29H37N3O3 and molecular weight 475.28 g/mol. IUPAC: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.
Chemical Property Profile of (1'beta)-10,11-Dimethoxytubulosan-8'-ol
Property Insights of (1'beta)-10,11-Dimethoxytubulosan-8'-ol
The XLogP value of 4.6 indicates that (1'beta)-10,11-Dimethoxytubulosan-8'-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'beta)-10,11-Dimethoxytubulosan-8'-ol. Following Lipinski's Rule of Five, (1'beta)-10,11-Dimethoxytubulosan-8'-ol has 3 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 (1'beta)-10,11-Dimethoxytubulosan-8'-ol?
The CAS number of (1'beta)-10,11-Dimethoxytubulosan-8'-ol is 6344-16-7.
What is the molecular formula of (1'beta)-10,11-Dimethoxytubulosan-8'-ol?
The molecular formula of (1'beta)-10,11-Dimethoxytubulosan-8'-ol is C29H37N3O3.
What is the molecular weight of (1'beta)-10,11-Dimethoxytubulosan-8'-ol?
The molecular weight of (1'beta)-10,11-Dimethoxytubulosan-8'-ol is 475.28 g/mol.
Where can I buy (1'beta)-10,11-Dimethoxytubulosan-8'-ol?
You can request a quote for (1'beta)-10,11-Dimethoxytubulosan-8'-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'beta)-10,11-Dimethoxytubulosan-8'-ol?
Yes, KEHONG BIO provides custom synthesis services for (1'beta)-10,11-Dimethoxytubulosan-8'-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.