SES1_001741
TL;DR: SES1_001741 (CAS 6113-26-4) is a chemical compound with molecular formula C45H50ClF3N2O5 and molecular weight 790.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-[[17-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonyl]-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]-3-propan-2-ylurea
Also Known As: SES1_001741, N-Benzyl-N-[(4-{5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonyl}-1,7-dihydroxy-9a,11a-dimethyl-2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-3b,5a-ethenocyclopenta[a]phenanthren-1-yl)methyl]-N'-(propan-2-yl)urea
| Molecular Formula | C45H50ClF3N2O5 |
|---|---|
| Molecular Weight | 790.34 g/mol |
| LogP | 10.0128 |
| Topological Polar Surface Area | 103.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 790.33606 |
| Heavy Atoms | 56 |
| Complexity | 2114.5132 |
Chemical Identifiers
| CAS Number | 6113-26-4 |
|---|---|
| SMILES | CC(C)NC(=O)N(CC1=CC=CC=C1)CC2(CCC3C2(CCC4C35C=CC6(C4(CCC(C6)O)C)C=C5C(=O)C7=CC=C(O7)C8=C(C=CC(=C8)C(F)(F)F)Cl)C)O |
Product Overview
SES1_001741 (CAS 6113-26-4), with molecular formula C45H50ClF3N2O5 and molecular weight 790.34 g/mol. IUPAC: 1-benzyl-1-[[17-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonyl]-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]-3-propan-2-ylurea.
Chemical Property Profile of SES1_001741
Property Insights of SES1_001741
The XLogP value of 10.0128 indicates that SES1_001741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.01 Ų falls within the moderate polarity range, balancing permeability and solubility for SES1_001741. Following Lipinski's Rule of Five, SES1_001741 has 3 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 SES1_001741?
The CAS number of SES1_001741 is 6113-26-4.
What is the molecular formula of SES1_001741?
The molecular formula of SES1_001741 is C45H50ClF3N2O5.
What is the molecular weight of SES1_001741?
The molecular weight of SES1_001741 is 790.34 g/mol.
Where can I buy SES1_001741?
You can request a quote for SES1_001741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SES1_001741?
Yes, KEHONG BIO provides custom synthesis services for SES1_001741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.