N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine
TL;DR: N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine (CAS 50657-33-5) is a chemical compound with molecular formula C36H50ClN3O11 and molecular weight 735.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-chloro-15,21-dihydroxy-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) 2-[methyl(2-methylpropanoyl)amino]propanoate
Also Known As: Colubrinol, N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine
| Molecular Formula | C36H50ClN3O11 |
|---|---|
| Molecular Weight | 735.31 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 735.3134 |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 50657-33-5 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C(C)C)C)O)C)OC)(NC(=O)O2)O |
| InChIKey | CJFMMFRLGXTVGK-UHFFFAOYSA-N |
Product Overview
N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine (CAS 50657-33-5), with molecular formula C36H50ClN3O11 and molecular weight 735.31 g/mol. IUPAC: (11-chloro-15,21-dihydroxy-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) 2-[methyl(2-methylpropanoyl)amino]propanoate.
Chemical Property Profile of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine
Property Insights of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine. The TPSA of 177.0 Ų indicates high polarity, suggesting N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine?
The CAS number of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine is 50657-33-5.
What is the molecular formula of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine?
The molecular formula of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine is C36H50ClN3O11.
What is the molecular weight of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine?
The molecular weight of N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine is 735.31 g/mol.
Where can I buy N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine?
You can request a quote for N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine?
Yes, KEHONG BIO provides custom synthesis services for N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.