N-(tert-Butoxycarbonyl)isoleucylmethioninamide
TL;DR: N-(tert-Butoxycarbonyl)isoleucylmethioninamide (CAS 2807-73-0) is a chemical compound with molecular formula C16H31N3O4S and molecular weight 361.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
Also Known As: N-(tert-Butoxycarbonyl)isoleucylmethioninamide, tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate, tert-butyl N-(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylbutyl)carbamate, Carbamic acid,[1-[[1-carbamoyl-3-(methylthio)propyl]carbamoyl]-2-methylbutyl]-, tert-butylester (7ci,8ci)
| Molecular Formula | C16H31N3O4S |
|---|---|
| Molecular Weight | 361.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 361.20352 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 2807-73-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(CCSC)C(=O)N)NC(=O)OC(C)(C)C |
| InChIKey | STWYAZLQBVUYRF-UHFFFAOYSA-N |
Product Overview
N-(tert-Butoxycarbonyl)isoleucylmethioninamide (CAS 2807-73-0), with molecular formula C16H31N3O4S and molecular weight 361.20 g/mol. IUPAC: tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate.
Chemical Property Profile of N-(tert-Butoxycarbonyl)isoleucylmethioninamide
Property Insights of N-(tert-Butoxycarbonyl)isoleucylmethioninamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butoxycarbonyl)isoleucylmethioninamide. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butoxycarbonyl)isoleucylmethioninamide. Following Lipinski's Rule of Five, N-(tert-Butoxycarbonyl)isoleucylmethioninamide has 3 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 N-(tert-Butoxycarbonyl)isoleucylmethioninamide?
The CAS number of N-(tert-Butoxycarbonyl)isoleucylmethioninamide is 2807-73-0.
What is the molecular formula of N-(tert-Butoxycarbonyl)isoleucylmethioninamide?
The molecular formula of N-(tert-Butoxycarbonyl)isoleucylmethioninamide is C16H31N3O4S.
What is the molecular weight of N-(tert-Butoxycarbonyl)isoleucylmethioninamide?
The molecular weight of N-(tert-Butoxycarbonyl)isoleucylmethioninamide is 361.20 g/mol.
Where can I buy N-(tert-Butoxycarbonyl)isoleucylmethioninamide?
You can request a quote for N-(tert-Butoxycarbonyl)isoleucylmethioninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-Butoxycarbonyl)isoleucylmethioninamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butoxycarbonyl)isoleucylmethioninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.