NCI60_028562
TL;DR: NCI60_028562 (CAS 156368-64-8) is a chemical compound with molecular formula C36H52N2O7 and molecular weight 624.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,6R,7R,16R,17R,19S,21S,22R)-7-[(2R,3S,4R)-4-acetamido-3-hydroxypentan-2-yl]-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-21-yl] carbamate
Also Known As: NCI60_028562, N-(3-Hydroxy-4-{17-[hydroxy(imino)methoxy]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclohexadecin-9-yl}pentan-2-yl)ethanimidic acid, N-[(2R,3S,4R)-3-Hydroxy-4-{(9R,10R,14aR,16aR,17S,19S,20aR,20bR)-17-[hydroxy(imino)methoxy]-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-7H-naphtho[2,1-h]oxacyclohexadecin-9-yl}pentan-2-yl]ethanimidic acid
| Molecular Formula | C36H52N2O7 |
|---|---|
| Molecular Weight | 624.38 g/mol |
| LogP | 5.3281 |
| Topological Polar Surface Area | 137.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 624.37744 |
| Heavy Atoms | 45 |
| Complexity | 1263.6774 |
Chemical Identifiers
| CAS Number | 156368-64-8 |
|---|---|
| SMILES | C[C@@H]1C=CC(=C[C@H]2C=C[C@@H]3[C@H]([C@]2(C=CC(=CC=CC(=O)O[C@H]1[C@H](C)[C@@H]([C@@H](C)NC(=O)C)O)C)C)C[C@@H](C[C@@H]3OC(=O)N)OC)C |
Product Overview
NCI60_028562 (CAS 156368-64-8), with molecular formula C36H52N2O7 and molecular weight 624.38 g/mol. IUPAC: [(1R,6R,7R,16R,17R,19S,21S,22R)-7-[(2R,3S,4R)-4-acetamido-3-hydroxypentan-2-yl]-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-21-yl] carbamate.
Chemical Property Profile of NCI60_028562
Property Insights of NCI60_028562
The XLogP value of 5.3281 indicates that NCI60_028562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.18 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_028562. Following Lipinski's Rule of Five, NCI60_028562 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_028562?
The CAS number of NCI60_028562 is 156368-64-8.
What is the molecular formula of NCI60_028562?
The molecular formula of NCI60_028562 is C36H52N2O7.
What is the molecular weight of NCI60_028562?
The molecular weight of NCI60_028562 is 624.38 g/mol.
Where can I buy NCI60_028562?
You can request a quote for NCI60_028562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_028562?
Yes, KEHONG BIO provides custom synthesis services for NCI60_028562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.