NCI60_011212
TL;DR: NCI60_011212 (CAS 128255-52-7) is a chemical compound with molecular formula C29H40O7 and molecular weight 500.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,10S,11R)-6,10-dimethyl-5-[(1S)-1-[(1S,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]spiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-8-ene-11,5'-oxolane]-2',7-dione
Also Known As: NCI60_011212, (2R,3S,5aR)-3,5a-Dimethyl-6-{(1S)-1-[(1S,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl}-1a,5a,6,7,8,8a,8b,8c-octahydrospiro[cyclopenta[7,8]naphtho[1,2-b]oxirene-2,2'-oxolane]-5,5'(3H)-dione
| Molecular Formula | C29H40O7 |
|---|---|
| Molecular Weight | 500.28 g/mol |
| LogP | 4.3199 |
| Topological Polar Surface Area | 83.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 500.2774 |
| Heavy Atoms | 36 |
| Complexity | 1077.4937 |
Chemical Identifiers
| CAS Number | 128255-52-7 |
|---|---|
| SMILES | C[C@H]1C2=CC(=O)[C@]3(C(C2C4C([C@@]15CCC(=O)O5)O4)CCC3[C@H](C)[C@H]6C[C@]7(C(O[C@](O6)(O7)C)(C)C)C)C |
Product Overview
NCI60_011212 (CAS 128255-52-7), with molecular formula C29H40O7 and molecular weight 500.28 g/mol. IUPAC: (6R,10S,11R)-6,10-dimethyl-5-[(1S)-1-[(1S,3R,5S)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]spiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-8-ene-11,5'-oxolane]-2',7-dione.
Chemical Property Profile of NCI60_011212
Property Insights of NCI60_011212
The XLogP value of 4.3199 indicates that NCI60_011212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.59 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_011212. Following Lipinski's Rule of Five, NCI60_011212 has 0 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_011212?
The CAS number of NCI60_011212 is 128255-52-7.
What is the molecular formula of NCI60_011212?
The molecular formula of NCI60_011212 is C29H40O7.
What is the molecular weight of NCI60_011212?
The molecular weight of NCI60_011212 is 500.28 g/mol.
Where can I buy NCI60_011212?
You can request a quote for NCI60_011212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_011212?
Yes, KEHONG BIO provides custom synthesis services for NCI60_011212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.