allatotropin (5-13), Nle(7,8)-
TL;DR: allatotropin (5-13), Nle(7,8)- (CAS 136849-69-9) is a chemical compound with molecular formula C46H77N13O12 and molecular weight 1003.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Also Known As: ATANA, Allatotropin (5-13), nle(7,8)-, Nle(7,8)-allatotropin (5-13), Allatotropin (5-13), norleucine (7,8)-, Val-glu-nle-nle-thr-ala-arg-gly-phe-NH2
| Molecular Formula | C46H77N13O12 |
|---|---|
| Molecular Weight | 1003.58 g/mol |
| LogP | -3.093 |
| Topological Polar Surface Area | 423.84 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 34 |
| Exact Mass | 1003.5815 |
| Heavy Atoms | 71 |
| Complexity | 1966.4857 |
Chemical Identifiers
| CAS Number | 136849-69-9 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)N[C@@H](CCCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N |
Product Overview
allatotropin (5-13), Nle(7,8)- (CAS 136849-69-9), with molecular formula C46H77N13O12 and molecular weight 1003.58 g/mol. IUPAC: (4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of allatotropin (5-13), Nle(7,8)-
Property Insights of allatotropin (5-13), Nle(7,8)-
The XLogP value of -3.093 indicates that allatotropin (5-13), Nle(7,8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 423.84 Ų indicates high polarity, suggesting allatotropin (5-13), Nle(7,8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, allatotropin (5-13), Nle(7,8)- has 14 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allatotropin (5-13), Nle(7,8)-?
The CAS number of allatotropin (5-13), Nle(7,8)- is 136849-69-9.
What is the molecular formula of allatotropin (5-13), Nle(7,8)-?
The molecular formula of allatotropin (5-13), Nle(7,8)- is C46H77N13O12.
What is the molecular weight of allatotropin (5-13), Nle(7,8)-?
The molecular weight of allatotropin (5-13), Nle(7,8)- is 1003.58 g/mol.
Where can I buy allatotropin (5-13), Nle(7,8)-?
You can request a quote for allatotropin (5-13), Nle(7,8)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allatotropin (5-13), Nle(7,8)-?
Yes, KEHONG BIO provides custom synthesis services for allatotropin (5-13), Nle(7,8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.