RO116-9132/238
TL;DR: RO116-9132/238 (CAS 750558-86-2) is a chemical compound with molecular formula C28H40Cl2N3O4+ and molecular weight 552.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
Also Known As: RO116-9132/238, 1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea, 1-((2R)-1-(4-((3,4-dichlorophenyl)methyl)-1-methylpiperidin-1-ium-1-yl)-3-methylbutan-2-yl)-3-(3,4,5-trimethoxyphenyl)urea, RefChem:179708
| Molecular Formula | C28H40Cl2N3O4+ |
|---|---|
| Molecular Weight | 552.24 g/mol |
| LogP | 6.2646 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 552.23956 |
| Heavy Atoms | 37 |
| Complexity | 1046.383 |
Chemical Identifiers
| CAS Number | 750558-86-2 |
|---|---|
| SMILES | CC(C)[C@H](C[N+]1(CCC(CC1)CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
RO116-9132/238 (CAS 750558-86-2), with molecular formula C28H40Cl2N3O4+ and molecular weight 552.24 g/mol. IUPAC: 1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea.
Chemical Property Profile of RO116-9132/238
Property Insights of RO116-9132/238
The XLogP value of 6.2646 indicates that RO116-9132/238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RO116-9132/238. Following Lipinski's Rule of Five, RO116-9132/238 has 2 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 RO116-9132/238?
The CAS number of RO116-9132/238 is 750558-86-2.
What is the molecular formula of RO116-9132/238?
The molecular formula of RO116-9132/238 is C28H40Cl2N3O4+.
What is the molecular weight of RO116-9132/238?
The molecular weight of RO116-9132/238 is 552.24 g/mol.
Where can I buy RO116-9132/238?
You can request a quote for RO116-9132/238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RO116-9132/238?
Yes, KEHONG BIO provides custom synthesis services for RO116-9132/238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.