Boc-beta-chloro-ala-oh
TL;DR: Boc-beta-chloro-ala-oh (CAS 71404-98-3) is a chemical compound with molecular formula C8H14ClNO4 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: boc-beta-chloro-ala-oh, (R)-2-((tert-Butoxycarbonyl)amino)-3-chloropropanoic acid, Boc--chloro-Ala-OH, Boc-b-chloro-Ala-OH, boc-beta-chloro-alanine
| Molecular Formula | C8H14ClNO4 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 1.2031 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.06114 |
| Heavy Atoms | 14 |
| Complexity | 223.8714 |
Chemical Identifiers
| CAS Number | 71404-98-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)O |
Product Overview
Boc-beta-chloro-ala-oh (CAS 71404-98-3), with molecular formula C8H14ClNO4 and molecular weight 223.06 g/mol. IUPAC: (2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-beta-chloro-ala-oh
Property Insights of Boc-beta-chloro-ala-oh
The XLogP value of 1.2031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-beta-chloro-ala-oh. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-beta-chloro-ala-oh. Following Lipinski's Rule of Five, Boc-beta-chloro-ala-oh 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 Boc-beta-chloro-ala-oh?
The CAS number of Boc-beta-chloro-ala-oh is 71404-98-3.
What is the molecular formula of Boc-beta-chloro-ala-oh?
The molecular formula of Boc-beta-chloro-ala-oh is C8H14ClNO4.
What is the molecular weight of Boc-beta-chloro-ala-oh?
The molecular weight of Boc-beta-chloro-ala-oh is 223.06 g/mol.
Where can I buy Boc-beta-chloro-ala-oh?
You can request a quote for Boc-beta-chloro-ala-oh directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-beta-chloro-ala-oh?
Yes, KEHONG BIO provides custom synthesis services for Boc-beta-chloro-ala-oh and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.