NCI60_004048
TL;DR: NCI60_004048 (CAS 19165-29-8) is a chemical compound with molecular formula C23H35F3O3 and molecular weight 416.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one
Also Known As: NCI60_004048, Btk inhibitor 1 (R enantiomer hydrochloride), 4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one, 4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,, 4,4,4-Trifluoro-3-hydroxy-1-(7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)butan-1-one
| Molecular Formula | C23H35F3O3 |
|---|---|
| Molecular Weight | 416.25 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.2538 |
| Heavy Atoms | 29 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 19165-29-8 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CC(C(F)(F)F)O)C)O |
| InChIKey | JVSPILBDVWXPBS-UHFFFAOYSA-N |
Product Overview
NCI60_004048 (CAS 19165-29-8), with molecular formula C23H35F3O3 and molecular weight 416.25 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one.
Chemical Property Profile of NCI60_004048
Property Insights of NCI60_004048
The XLogP value of 5.3 indicates that NCI60_004048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, NCI60_004048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_004048 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_004048?
The CAS number of NCI60_004048 is 19165-29-8.
What is the molecular formula of NCI60_004048?
The molecular formula of NCI60_004048 is C23H35F3O3.
What is the molecular weight of NCI60_004048?
The molecular weight of NCI60_004048 is 416.25 g/mol.
Where can I buy NCI60_004048?
You can request a quote for NCI60_004048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_004048?
Yes, KEHONG BIO provides custom synthesis services for NCI60_004048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.