NCI60_001613
TL;DR: NCI60_001613 (CAS 469-13-6) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-hydroxy-5',7,9,14-tetramethylspiro[5,10-dioxapentacyclo[11.8.0.02,9.04,8.014,19]henicosane-6,2'-oxane]-11-one
Also Known As: NCI60_001613, hydroxy-5'-tetramethyl-spiro[[?]-2,2'-tetrahydropyran]one, Spiro(9H-furo(2',3':4,5)cyclopenta(1,2-b)naphth(2,1-d)oxepin-9,2'-(2H)pyran)-6(1H)-one, eicosahydro-2-hydroxy-4a,5',7a,8-tetramethyl-, 2-Hydroxy-4a,5',7a,8-tetramethylhexadecahydrospiro[furo[2',3':4,5]cyclopenta[1,2-b]naphtho[2,1-d]oxepine-9,2'-oxan]-6(1H)-one, Spiro[9H-furo[2',3':4,5]cyclopenta[1,2-b]naphth[2,1-d]oxepin-9,2'-[2H]pyran]-6(1H)-one, eicosahydro-2-hydroxy-4a,5',7a,8-tetramethyl-
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 469-13-6 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(OC(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| InChIKey | SIDPZFOCVWRMEX-UHFFFAOYSA-N |
Product Overview
NCI60_001613 (CAS 469-13-6), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: 17-hydroxy-5',7,9,14-tetramethylspiro[5,10-dioxapentacyclo[11.8.0.02,9.04,8.014,19]henicosane-6,2'-oxane]-11-one.
Chemical Property Profile of NCI60_001613
Property Insights of NCI60_001613
The XLogP value of 4.8 indicates that NCI60_001613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_001613. Following Lipinski's Rule of Five, NCI60_001613 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_001613?
The CAS number of NCI60_001613 is 469-13-6.
What is the molecular formula of NCI60_001613?
The molecular formula of NCI60_001613 is C27H42O5.
What is the molecular weight of NCI60_001613?
The molecular weight of NCI60_001613 is 446.30 g/mol.
Where can I buy NCI60_001613?
You can request a quote for NCI60_001613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001613?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.