NCI60_000338
TL;DR: NCI60_000338 (CAS 17392-79-9) is a chemical compound with molecular formula C26H32N4O2S and molecular weight 464.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: NCI60_000338, 10,13-dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 9-(Desoxycorticosteron-21-yl)-9H-purin-6(1H)-thion, 21-(6-mercapto-9H-purin-9-yl)pregn-4-ene-3,20-dione, (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C26H32N4O2S |
|---|---|
| Molecular Weight | 464.22 g/mol |
| LogP | 5.20609 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.2246 |
| Heavy Atoms | 33 |
| Complexity | 1244.3878 |
Chemical Identifiers
| CAS Number | 17392-79-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4NC=NC5=S)CCC6=CC(=O)CCC36C |
Product Overview
NCI60_000338 (CAS 17392-79-9), with molecular formula C26H32N4O2S and molecular weight 464.22 g/mol. IUPAC: 10,13-dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of NCI60_000338
Property Insights of NCI60_000338
The XLogP value of 5.20609 indicates that NCI60_000338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000338. Following Lipinski's Rule of Five, NCI60_000338 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_000338?
The CAS number of NCI60_000338 is 17392-79-9.
What is the molecular formula of NCI60_000338?
The molecular formula of NCI60_000338 is C26H32N4O2S.
What is the molecular weight of NCI60_000338?
The molecular weight of NCI60_000338 is 464.22 g/mol.
Where can I buy NCI60_000338?
You can request a quote for NCI60_000338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000338?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.