NCI60_027858
TL;DR: NCI60_027858 (CAS 5987-00-8) is a chemical compound with molecular formula C23H37NO3 and molecular weight 375.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-16-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: NCI60_027858, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid, 16.beta.-Morpholino-5-androstene-3.beta.,17.beta.-diol, (3S,8R,9S,10R,13S,14S,16S,17R)-10,13-Dimethyl-16-morpholino-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, (3S,8R,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-16-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C23H37NO3 |
|---|---|
| Molecular Weight | 375.28 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.27734 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 5987-00-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)N5CCOCC5)C)O |
| InChIKey | JLCVYEPFHBMBFB-QGZPSTLZSA-N |
Product Overview
NCI60_027858 (CAS 5987-00-8), with molecular formula C23H37NO3 and molecular weight 375.28 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-16-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of NCI60_027858
Property Insights of NCI60_027858
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_027858. With a topological polar surface area (TPSA) of 52.9 Ų, NCI60_027858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_027858 has 2 hydrogen bond donor(s) and 4 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_027858?
The CAS number of NCI60_027858 is 5987-00-8.
What is the molecular formula of NCI60_027858?
The molecular formula of NCI60_027858 is C23H37NO3.
What is the molecular weight of NCI60_027858?
The molecular weight of NCI60_027858 is 375.28 g/mol.
Where can I buy NCI60_027858?
You can request a quote for NCI60_027858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_027858?
Yes, KEHONG BIO provides custom synthesis services for NCI60_027858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.