(3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid
TL;DR: (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid (CAS 1774-11-4) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Also Known As: Boc-L-beta-homoisoleucine, Fmoc-L-, A-Homo-Ile-OH, BL810-1, (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 2.4005 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 270.16943 |
Chemical Identifiers
| CAS Number | 1774-11-4 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C |
Product Overview
(3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid (CAS 1774-11-4), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
Chemical Property Profile of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid
Property Insights of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid
The XLogP value of 2.4005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid. Following Lipinski's Rule of Five, (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid has 2 hydrogen bond donor(s) and 3 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 (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid?
The CAS number of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid is 1774-11-4.
What is the molecular formula of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid?
The molecular formula of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid is C12H23NO4.
What is the molecular weight of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid?
The molecular weight of (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid is 245.16 g/mol.
Where can I buy (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid?
You can request a quote for (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R,4R)-3-(tert-butoxycarbonylamino)-4-methyl-hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.