Geldamamycin derivative
TL;DR: Geldamamycin derivative (CAS 71952-92-6) is a chemical compound with molecular formula C30H42ClN3O8 and molecular weight 607.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-19-(2-chloroethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Also Known As: Geldamamycin derivative, [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-21-(2-chloroethylamino)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate, 2-Azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-((aminocarbonyl)oxy)-19-((2-chloroethyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13R,14R,16R)-
| Molecular Formula | C30H42ClN3O8 |
|---|---|
| Molecular Weight | 607.27 g/mol |
| LogP | 2.5904 |
| Topological Polar Surface Area | 166.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 607.26605 |
| Heavy Atoms | 42 |
| Complexity | 1188.9343 |
Chemical Identifiers
| CAS Number | 71952-92-6 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCl)/C)OC)OC(=O)N)\C)C)O)OC |
Product Overview
Geldamamycin derivative (CAS 71952-92-6), with molecular formula C30H42ClN3O8 and molecular weight 607.27 g/mol. IUPAC: [(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-19-(2-chloroethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate.
Chemical Property Profile of Geldamamycin derivative
Property Insights of Geldamamycin derivative
The XLogP value of 2.5904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Geldamamycin derivative. The TPSA of 166.28 Ų indicates high polarity, suggesting Geldamamycin derivative may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Geldamamycin derivative has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Geldamamycin derivative?
The CAS number of Geldamamycin derivative is 71952-92-6.
What is the molecular formula of Geldamamycin derivative?
The molecular formula of Geldamamycin derivative is C30H42ClN3O8.
What is the molecular weight of Geldamamycin derivative?
The molecular weight of Geldamamycin derivative is 607.27 g/mol.
Where can I buy Geldamamycin derivative?
You can request a quote for Geldamamycin derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geldamamycin derivative?
Yes, KEHONG BIO provides custom synthesis services for Geldamamycin derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.