![N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine structure](/static/products/117/1173689-54-7.png)
N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine
TL;DR: N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine (CAS 1173689-54-7) is a chemical compound with molecular formula C19H33N3O6 and molecular weight 399.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid
Also Known As: N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine, (2S)-2-[[4-[[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid, (S)-2-((1R,4S)-4-(((R)-2-((tert-butoxycarbonyl)amino)propanamido)methyl)cyclohexanecarboxamido)propanoic acid
| Molecular Formula | C19H33N3O6 |
|---|---|
| Molecular Weight | 399.24 g/mol |
| LogP | 1.4115 |
| Topological Polar Surface Area | 133.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.23694 |
| Heavy Atoms | 28 |
| Complexity | 578.70825 |
Chemical Identifiers
| CAS Number | 1173689-54-7 |
|---|---|
| SMILES | C[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C |
Product Overview
N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine (CAS 1173689-54-7), with molecular formula C19H33N3O6 and molecular weight 399.24 g/mol. IUPAC: (2S)-2-[[4-[[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid.
Chemical Property Profile of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine
Property Insights of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine
The XLogP value of 1.4115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine. The TPSA of 133.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine. Following Lipinski's Rule of Five, N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine has 4 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-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine?
The CAS number of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine is 1173689-54-7.
What is the molecular formula of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine?
The molecular formula of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine is C19H33N3O6.
What is the molecular weight of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine?
The molecular weight of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine is 399.24 g/mol.
Where can I buy N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine?
You can request a quote for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-alanyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.