![[4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate structure](/static/products/5963/5963-32-6.webp)
[4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
TL;DR: [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate (CAS 5963-32-6) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
Also Known As: [4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate|4-({(Butan-2-yl)[(3-cyanophenyl)carbamoyl]amino}methyl)phenyl ethanesulfonate|4-{[(BUTAN-2-YL)[(3-CYANOPHENYL)CARBAMOYL]AMINO]METHYL}PHENYL ETHANE-1-SULFONATE
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 4.11938 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 981.73096 |
Chemical Identifiers
| CAS Number | 5963-32-6 |
|---|---|
| SMILES | CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC(=C2)C#N |
Product Overview
[4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate (CAS 5963-32-6), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: [4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate.
Chemical Property Profile of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
Property Insights of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
The XLogP value of 4.11938 indicates that [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate. Following Lipinski's Rule of Five, [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate has 1 hydrogen bond donor(s) and 5 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 [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate?
The CAS number of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate is 5963-32-6.
What is the molecular formula of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate?
The molecular formula of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate is C21H25N3O4S.
What is the molecular weight of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate?
The molecular weight of [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate is 415.16 g/mol.
Where can I buy [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate?
You can request a quote for [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[[Butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.