Thalmidine
TL;DR: Thalmidine (CAS 5096-71-9) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,21S)-10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaene
Also Known As: Thalmidine, O-Methylthalicberine, Thalicberine, O-methyl-, (+)-O-Methylthalicberine, O-Methyl thalicberine
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 5096-71-9 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChIKey | UUURWWVPMHAACP-KYJUHHDHSA-N |
Product Overview
Thalmidine (CAS 5096-71-9), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (3S,21S)-10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaene.
Chemical Property Profile of Thalmidine
Property Insights of Thalmidine
The XLogP value of 6.7 indicates that Thalmidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalmidine. Following Lipinski's Rule of Five, Thalmidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalmidine?
The CAS number of Thalmidine is 5096-71-9.
What is the molecular formula of Thalmidine?
The molecular formula of Thalmidine is C38H42N2O6.
What is the molecular weight of Thalmidine?
The molecular weight of Thalmidine is 622.30 g/mol.
Where can I buy Thalmidine?
You can request a quote for Thalmidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalmidine?
Yes, KEHONG BIO provides custom synthesis services for Thalmidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.