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Tilitriandrine structure
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Tilitriandrine

TL;DR: Tilitriandrine (CAS 120139-68-6) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol

Also Known As: Tilitriandrin, Tilitriandrine, 9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol, 9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo(22.6.2.13,7.18,12.114,18.027,31.022,33)pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol

CAS Number
120139-68-6
Molecular Formula
C36H38N2O6
Molecular Weight
594.273 g/mol
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Technical Specifications

Molecular FormulaC36H38N2O6
Molecular Weight594.273 g/mol
XLogP5.6
Topological Polar Surface Area (TPSA)92.7 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors8
Rotatable Bonds3
Exact Mass594.273 Da
Heavy Atoms44
Complexity956.0
SMILESCN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC
InChIKeyIXKWJOUSNXVCKD-UHFFFAOYSA-N

Chemical Property Profile of Tilitriandrine

XLogP
5.6
TPSA (Topological Polar Surface Area)
92.7
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
8
Rotatable Bonds
3
Heavy Atoms
44
Complexity
956.0
Exact Mass
594.273
Monoisotopic Mass
594.273
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Tilitriandrine

The XLogP value of 5.6 indicates that Tilitriandrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tilitriandrine. Following Lipinski's Rule of Five, Tilitriandrine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Tilitriandrine?

The CAS number of Tilitriandrine is 120139-68-6.

What is the molecular formula of Tilitriandrine?

The molecular formula of Tilitriandrine is C36H38N2O6.

What is the molecular weight of Tilitriandrine?

The molecular weight of Tilitriandrine is 594.273 g/mol.

Where can I buy Tilitriandrine?

You can request a quote for Tilitriandrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Tilitriandrine?

Yes, CoreyChem provides custom synthesis services for Tilitriandrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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