Methyl geldanamycinate
TL;DR: Methyl geldanamycinate (CAS 30674-68-1) is a chemical compound with molecular formula C30H44N2O10 and molecular weight 592.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate
Also Known As: Methyl geldanamycinate, methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate, METHYL (2E,4E,8E)-15-(5-AMINO-2-METHOXY-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL)-7-(CARBAMOYLOXY)-11-HYDROXY-6,12-DIMETHOXY-2,8,10,14-TETRAMETHYLPENTADECA-2,4,8-TRIENOATE
| Molecular Formula | C30H44N2O10 |
|---|---|
| Molecular Weight | 592.30 g/mol |
| LogP | 2.4103 |
| Topological Polar Surface Area | 186.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 592.2996 |
| Heavy Atoms | 42 |
| Complexity | 1150.7319 |
Chemical Identifiers
| CAS Number | 30674-68-1 |
|---|---|
| SMILES | CC(CC1=C(C(=O)C=C(C1=O)N)OC)CC(C(C(C)/C=C(\C)/C(C(/C=C/C=C(\C)/C(=O)OC)OC)OC(=O)N)O)OC |
Product Overview
Methyl geldanamycinate (CAS 30674-68-1), with molecular formula C30H44N2O10 and molecular weight 592.30 g/mol. IUPAC: methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate.
Chemical Property Profile of Methyl geldanamycinate
Property Insights of Methyl geldanamycinate
The XLogP value of 2.4103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl geldanamycinate. The TPSA of 186.7 Ų indicates high polarity, suggesting Methyl geldanamycinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl geldanamycinate 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 Methyl geldanamycinate?
The CAS number of Methyl geldanamycinate is 30674-68-1.
What is the molecular formula of Methyl geldanamycinate?
The molecular formula of Methyl geldanamycinate is C30H44N2O10.
What is the molecular weight of Methyl geldanamycinate?
The molecular weight of Methyl geldanamycinate is 592.30 g/mol.
Where can I buy Methyl geldanamycinate?
You can request a quote for Methyl geldanamycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl geldanamycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl geldanamycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.