(R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate
TL;DR: (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate (CAS 297730-05-3) is a chemical compound with molecular formula C23H25N5O4 and molecular weight 435.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
Also Known As: (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate, ((1R)-1-(Cyanomethyl)propyl) N-((1S)-1-(3-((4-cyano-3-methoxy-phenyl)carbamoylamino)phenyl)ethyl)carbamate, Carbamic acid, N-((1S)-1-(3-((((4-cyano-3-methoxyphenyl)amino)carbonyl)amino)phenyl)ethyl)-, (1R)-1-(cyanomethyl)propyl ester, [(2R)-1-Cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate, RefChem:194708
| Molecular Formula | C23H25N5O4 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | 4.69036 |
| Topological Polar Surface Area | 136.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.19064 |
| Heavy Atoms | 32 |
| Complexity | 1041.4127 |
Chemical Identifiers
| CAS Number | 297730-05-3 |
|---|---|
| SMILES | CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)OC |
Product Overview
(R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate (CAS 297730-05-3), with molecular formula C23H25N5O4 and molecular weight 435.19 g/mol. IUPAC: [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate.
Chemical Property Profile of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate
Property Insights of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate
The XLogP value of 4.69036 indicates that (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate. Following Lipinski's Rule of Five, (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate?
The CAS number of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate is 297730-05-3.
What is the molecular formula of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate?
The molecular formula of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate is C23H25N5O4.
What is the molecular weight of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate?
The molecular weight of (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate is 435.19 g/mol.
Where can I buy (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate?
You can request a quote for (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.