N-Bsmoc-L-isoleucine
TL;DR: N-Bsmoc-L-isoleucine (CAS 197245-22-0) is a chemical compound with molecular formula C16H19NO6S and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-methylpentanoic acid
Also Known As: N-Bsmoc-L-isoleucine, Bsmoc-Ile-OH, (2S,3S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-methylpentanoic acid, L-Isoleucine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]-, N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-isoleucine
| Molecular Formula | C16H19NO6S |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 2.0403 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.09332 |
| Heavy Atoms | 24 |
| Complexity | 783.5123 |
Chemical Identifiers
| CAS Number | 197245-22-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O |
Product Overview
N-Bsmoc-L-isoleucine (CAS 197245-22-0), with molecular formula C16H19NO6S and molecular weight 353.09 g/mol. IUPAC: (2S,3S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-methylpentanoic acid.
Chemical Property Profile of N-Bsmoc-L-isoleucine
Property Insights of N-Bsmoc-L-isoleucine
The XLogP value of 2.0403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Bsmoc-L-isoleucine. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Bsmoc-L-isoleucine. Following Lipinski's Rule of Five, N-Bsmoc-L-isoleucine has 2 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-Bsmoc-L-isoleucine?
The CAS number of N-Bsmoc-L-isoleucine is 197245-22-0.
What is the molecular formula of N-Bsmoc-L-isoleucine?
The molecular formula of N-Bsmoc-L-isoleucine is C16H19NO6S.
What is the molecular weight of N-Bsmoc-L-isoleucine?
The molecular weight of N-Bsmoc-L-isoleucine is 353.09 g/mol.
Where can I buy N-Bsmoc-L-isoleucine?
You can request a quote for N-Bsmoc-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bsmoc-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-Bsmoc-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.