YM-17E
TL;DR: YM-17E (CAS 124900-72-7) is a chemical compound with molecular formula C40H58Cl2N6O2 and molecular weight 724.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
YM-17E
1-cycloheptyl-1-[[3-[[cycloheptyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]phenyl]methyl]-3-[4-(dimethylamino)phenyl]urea;dihydrochloride
Also Known As: YM17E, YM-17E, YM 17E, 1,1'-(1,3-Phenylenebis(methylene))bis(1-cycloheptyl-3-(4-(dimethylamino)phenyl)urea) dihydrochloride, 1-cycloheptyl-1-({3-[(1-cycloheptyl{[4-(dimethylamino)phenyl]carbamoyl}amino)methyl]phenyl}methyl)-3-[4-(dimethylamino)phenyl]urea dihydrochloride
| Molecular Formula | C40H58Cl2N6O2 |
|---|---|
| Molecular Weight | 724.40 g/mol |
| LogP | 10.176 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 724.39984 |
| Heavy Atoms | 50 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 124900-72-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=O)NC4=CC=C(C=C4)N(C)C)C5CCCCCC5.Cl.Cl |
| InChIKey | AKJWTZIUYIFCCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM-17E (CAS 124900-72-7), with molecular formula C40H58Cl2N6O2 and molecular weight 724.40 g/mol. IUPAC: 1-cycloheptyl-1-[[3-[[cycloheptyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]phenyl]methyl]-3-[4-(dimethylamino)phenyl]urea;dihydrochloride.
Chemical Property Profile of YM-17E
Property Insights of YM-17E
The XLogP value of 10.176 indicates that YM-17E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for YM-17E. Following Lipinski's Rule of Five, YM-17E has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM-17E?
The CAS number of YM-17E is 124900-72-7.
What is the molecular formula of YM-17E?
The molecular formula of YM-17E is C40H58Cl2N6O2.
What is the molecular weight of YM-17E?
The molecular weight of YM-17E is 724.40 g/mol.
Where can I buy YM-17E?
You can request a quote for YM-17E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM-17E?
Yes, KEHONG BIO provides custom synthesis services for YM-17E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.