SES1_002893
TL;DR: SES1_002893 (CAS 6114-41-6) is a chemical compound with molecular formula C48H59ClF3NO6 and molecular weight 837.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[[1-adamantylmethyl(2,3-dihydroxypropyl)amino]methyl]-5,13-dihydroxy-6,10-dimethyl-17-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methanone
Also Known As: SES1_002893, 11-({[(Adamantan-1-yl)methyl](2,3-dihydroxypropyl)amino}methyl)-1-{5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}-11,19-dihydroxy-12,16-dimethyl-2,7:4,20-dicycloprosta-2(7),3,5,15-tetraen-1-one
| Molecular Formula | C48H59ClF3NO6 |
|---|---|
| Molecular Weight | 837.40 g/mol |
| LogP | 9.7599 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 837.3983 |
| Heavy Atoms | 59 |
| Complexity | 2025.8793 |
Chemical Identifiers
| CAS Number | 6114-41-6 |
|---|---|
| SMILES | CC1=CCCC2(C(CCC2(CN(CC(CO)O)CC34CC5CC(C3)CC(C5)C4)O)C6=C(C=C(CC(CC1)O)C=C6)C(=O)C7=CC=C(O7)C8=C(C=CC(=C8)C(F)(F)F)Cl)C |
Product Overview
SES1_002893 (CAS 6114-41-6), with molecular formula C48H59ClF3NO6 and molecular weight 837.40 g/mol. IUPAC: [5-[[1-adamantylmethyl(2,3-dihydroxypropyl)amino]methyl]-5,13-dihydroxy-6,10-dimethyl-17-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl]-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methanone.
Chemical Property Profile of SES1_002893
Property Insights of SES1_002893
The XLogP value of 9.7599 indicates that SES1_002893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for SES1_002893. Following Lipinski's Rule of Five, SES1_002893 has 4 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 SES1_002893?
The CAS number of SES1_002893 is 6114-41-6.
What is the molecular formula of SES1_002893?
The molecular formula of SES1_002893 is C48H59ClF3NO6.
What is the molecular weight of SES1_002893?
The molecular weight of SES1_002893 is 837.40 g/mol.
Where can I buy SES1_002893?
You can request a quote for SES1_002893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SES1_002893?
Yes, KEHONG BIO provides custom synthesis services for SES1_002893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.