U 81749
TL;DR: U 81749 (CAS 126103-94-4) is a chemical compound with molecular formula C33H56N4O4 and molecular weight 572.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Also Known As: Tba-cha(psi)(CH(OH)CH2)val-ile-amp, U 81749, U-81749, 6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide, tert-Butylacetyl-cyclohexylalanine-hydroxyethylene isostere-valyl-isoleucyl-aminomethylpyridine
| Molecular Formula | C33H56N4O4 |
|---|---|
| Molecular Weight | 572.43 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 572.4302 |
| Heavy Atoms | 41 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 126103-94-4 |
|---|---|
| SMILES | CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC2CCCCC2)NC(=O)CC(C)(C)C)O)C(C)C |
| InChIKey | RLQUQIUJPBZNMI-UHFFFAOYSA-N |
Product Overview
U 81749 (CAS 126103-94-4), with molecular formula C33H56N4O4 and molecular weight 572.43 g/mol. IUPAC: 6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide.
Chemical Property Profile of U 81749
Property Insights of U 81749
The XLogP value of 6.2 indicates that U 81749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for U 81749. Following Lipinski's Rule of Five, U 81749 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of U 81749?
The CAS number of U 81749 is 126103-94-4.
What is the molecular formula of U 81749?
The molecular formula of U 81749 is C33H56N4O4.
What is the molecular weight of U 81749?
The molecular weight of U 81749 is 572.43 g/mol.
Where can I buy U 81749?
You can request a quote for U 81749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 81749?
Yes, KEHONG BIO provides custom synthesis services for U 81749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.