Deoxytubulosine
TL;DR: Deoxytubulosine (CAS 31777-46-5) is a chemical compound with molecular formula C29H37N3O2 and molecular weight 459.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: Deoxytubulosine, 10,11-Dimethoxytubulosan, Tubulosan, 10,11-dimethoxy-, (2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine, 2H-Benzo[a]quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, (2S,3R,11bS)-
| Molecular Formula | C29H37N3O2 |
|---|---|
| Molecular Weight | 459.29 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.28857 |
| Heavy Atoms | 34 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 31777-46-5 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC |
| InChIKey | AVJZNOIWPGXYKM-LXFCCGDJSA-N |
Product Overview
Deoxytubulosine (CAS 31777-46-5), with molecular formula C29H37N3O2 and molecular weight 459.29 g/mol. IUPAC: (2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
Chemical Property Profile of Deoxytubulosine
Property Insights of Deoxytubulosine
The XLogP value of 5.0 indicates that Deoxytubulosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.5 Ų, Deoxytubulosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxytubulosine has 2 hydrogen bond donor(s) and 4 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 Deoxytubulosine?
The CAS number of Deoxytubulosine is 31777-46-5.
What is the molecular formula of Deoxytubulosine?
The molecular formula of Deoxytubulosine is C29H37N3O2.
What is the molecular weight of Deoxytubulosine?
The molecular weight of Deoxytubulosine is 459.29 g/mol.
Where can I buy Deoxytubulosine?
You can request a quote for Deoxytubulosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxytubulosine?
Yes, KEHONG BIO provides custom synthesis services for Deoxytubulosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.