Boc-(Ala-Hmb)2-OH
TL;DR: Boc-(Ala-Hmb)2-OH (CAS 144678-63-7) is a chemical compound with molecular formula C21H36N2O9 and molecular weight 460.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
Also Known As: Boc-(Ala-Hmb)2-OH, NSC 668036 hydrate, NCI60_023728, SID:315516753, 3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
| Molecular Formula | C21H36N2O9 |
|---|---|
| Molecular Weight | 460.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 460.2421 |
| Heavy Atoms | 32 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 144678-63-7 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C |
| InChIKey | IPICFSFUAKDZEI-UHFFFAOYSA-N |
Product Overview
Boc-(Ala-Hmb)2-OH (CAS 144678-63-7), with molecular formula C21H36N2O9 and molecular weight 460.24 g/mol. IUPAC: 3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid.
Chemical Property Profile of Boc-(Ala-Hmb)2-OH
Property Insights of Boc-(Ala-Hmb)2-OH
The XLogP value of 3.2 indicates that Boc-(Ala-Hmb)2-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting Boc-(Ala-Hmb)2-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-(Ala-Hmb)2-OH has 3 hydrogen bond donor(s) and 9 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-(Ala-Hmb)2-OH?
The CAS number of Boc-(Ala-Hmb)2-OH is 144678-63-7.
What is the molecular formula of Boc-(Ala-Hmb)2-OH?
The molecular formula of Boc-(Ala-Hmb)2-OH is C21H36N2O9.
What is the molecular weight of Boc-(Ala-Hmb)2-OH?
The molecular weight of Boc-(Ala-Hmb)2-OH is 460.24 g/mol.
Where can I buy Boc-(Ala-Hmb)2-OH?
You can request a quote for Boc-(Ala-Hmb)2-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(Ala-Hmb)2-OH?
Yes, KEHONG BIO provides custom synthesis services for Boc-(Ala-Hmb)2-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.