Mertansine
TL;DR: Mertansine (CAS 139504-50-0) is a chemical compound with molecular formula C35H48ClN3O10S and molecular weight 737.2749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
Also Known As: Mertansine, N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine; DM 1; Maytansinoid DM 1; N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)maytansine
Technical Specifications
| Molecular Formula | C35H48ClN3O10S |
| Molecular Weight | 737.2749 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 737.2749 Da |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O |
| InChIKey | ANZJBCHSOXCCRQ-WPIRGBRYSA-N |
Chemical Property Profile of Mertansine
Property Insights of Mertansine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mertansine. The TPSA of 157.0 Ų indicates high polarity, suggesting Mertansine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mertansine has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mertansine?
The CAS number of Mertansine is 139504-50-0.
What is the molecular formula of Mertansine?
The molecular formula of Mertansine is C35H48ClN3O10S.
What is the molecular weight of Mertansine?
The molecular weight of Mertansine is 737.2749 g/mol.
Where can I buy Mertansine?
You can request a quote for Mertansine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mertansine?
Yes, CoreyChem provides custom synthesis services for Mertansine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.