NCI60_002053
TL;DR: NCI60_002053 (CAS 30562-35-7) is a chemical compound with molecular formula C33H46N2O11 and molecular weight 646.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(22-acetyloxy-9-carbamoyloxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl) acetate
Also Known As: NCI60_002053, [(8E,12Z,14E)-22-acetyloxy-10-carbamoyloxy-6-hydroxy-5,11,21, Geldanamycin,18,21-bis(acetyloxy)-18,21-didehydro-18,21-dideoxo- (9CI), (22-acetyloxy-10-carbamoyloxy-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-20-yl) acetate
| Molecular Formula | C33H46N2O11 |
|---|---|
| Molecular Weight | 646.31 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.3102 |
| Heavy Atoms | 46 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 30562-35-7 |
|---|---|
| SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2OC(=O)C)C1)OC)OC(=O)C)C)OC)OC(=O)N)C)C)O)OC |
| InChIKey | SMJLJYSWSZSYCN-UHFFFAOYSA-N |
Product Overview
NCI60_002053 (CAS 30562-35-7), with molecular formula C33H46N2O11 and molecular weight 646.31 g/mol. IUPAC: (22-acetyloxy-9-carbamoyloxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl) acetate.
Chemical Property Profile of NCI60_002053
Property Insights of NCI60_002053
The XLogP value of 3.0 indicates that NCI60_002053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting NCI60_002053 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_002053 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 NCI60_002053?
The CAS number of NCI60_002053 is 30562-35-7.
What is the molecular formula of NCI60_002053?
The molecular formula of NCI60_002053 is C33H46N2O11.
What is the molecular weight of NCI60_002053?
The molecular weight of NCI60_002053 is 646.31 g/mol.
Where can I buy NCI60_002053?
You can request a quote for NCI60_002053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002053?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.