17-Amino Geldanamycin; IPI 493; NSC 255109
TL;DR: 17-Amino Geldanamycin; IPI 493; NSC 255109 (CAS 64202-81-9) is a chemical compound with molecular formula C28H39N3O8 and molecular weight 545.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19-amino-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: 17-Aminogeldanamycin, 17-Amino Geldanamycin, 17-Aminodemethoxygeldanamycin, IPI 493, Geldanamycin, 17-amino-17-demethoxy-
| Molecular Formula | C28H39N3O8 |
|---|---|
| Molecular Weight | 545.27 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.27374 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 64202-81-9 |
|---|---|
| SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)OC(=O)N)C)C)O)OC |
| InChIKey | XYFFWTYOFPSZRM-UHFFFAOYSA-N |
Product Overview
17-Amino Geldanamycin; IPI 493; NSC 255109 (CAS 64202-81-9), with molecular formula C28H39N3O8 and molecular weight 545.27 g/mol. IUPAC: (19-amino-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 17-Amino Geldanamycin; IPI 493; NSC 255109
Property Insights of 17-Amino Geldanamycin; IPI 493; NSC 255109
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Amino Geldanamycin; IPI 493; NSC 255109. The TPSA of 180.0 Ų indicates high polarity, suggesting 17-Amino Geldanamycin; IPI 493; NSC 255109 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-Amino Geldanamycin; IPI 493; NSC 255109 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 17-Amino Geldanamycin; IPI 493; NSC 255109?
The CAS number of 17-Amino Geldanamycin; IPI 493; NSC 255109 is 64202-81-9.
What is the molecular formula of 17-Amino Geldanamycin; IPI 493; NSC 255109?
The molecular formula of 17-Amino Geldanamycin; IPI 493; NSC 255109 is C28H39N3O8.
What is the molecular weight of 17-Amino Geldanamycin; IPI 493; NSC 255109?
The molecular weight of 17-Amino Geldanamycin; IPI 493; NSC 255109 is 545.27 g/mol.
Where can I buy 17-Amino Geldanamycin; IPI 493; NSC 255109?
You can request a quote for 17-Amino Geldanamycin; IPI 493; NSC 255109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Amino Geldanamycin; IPI 493; NSC 255109?
Yes, KEHONG BIO provides custom synthesis services for 17-Amino Geldanamycin; IPI 493; NSC 255109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.