Bz-K(Nbd)-awfpp-nle-NH2
TL;DR: Bz-K(Nbd)-awfpp-nle-NH2 (CAS 3123-46-4) is a chemical compound with molecular formula C58H69N13O11 and molecular weight 1123.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-amino-1-oxohexan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Bz-K(Nbd)-awfpp-nle-NH2, Bz-Lys(nbd)-ala-trp-phe-pro-pro-nle-NH2, N-alpha-benzoyl-Lys(epsilon-NBD)-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2, Nalpha-Benzoyl-lys(epsilon-nbd)-ala-D-trp-phe-D-pro-pro-nle-NH2, (2S)-N-[(2S)-1-amino-1-oxohexan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
| Molecular Formula | C58H69N13O11 |
|---|---|
| Molecular Weight | 1123.52 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 342.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 1123.5239 |
| Heavy Atoms | 82 |
| Complexity | 2210.0 |
Chemical Identifiers
| CAS Number | 3123-46-4 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])NC(=O)C8=CC=CC=C8 |
| InChIKey | QPHVEJJSCPWZEE-DCOIRBKVSA-N |
Product Overview
Bz-K(Nbd)-awfpp-nle-NH2 (CAS 3123-46-4), with molecular formula C58H69N13O11 and molecular weight 1123.52 g/mol. IUPAC: (2S)-N-[(2S)-1-amino-1-oxohexan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamido-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Bz-K(Nbd)-awfpp-nle-NH2
Property Insights of Bz-K(Nbd)-awfpp-nle-NH2
The XLogP value of 5.8 indicates that Bz-K(Nbd)-awfpp-nle-NH2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 342.0 Ų indicates high polarity, suggesting Bz-K(Nbd)-awfpp-nle-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bz-K(Nbd)-awfpp-nle-NH2 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bz-K(Nbd)-awfpp-nle-NH2?
The CAS number of Bz-K(Nbd)-awfpp-nle-NH2 is 3123-46-4.
What is the molecular formula of Bz-K(Nbd)-awfpp-nle-NH2?
The molecular formula of Bz-K(Nbd)-awfpp-nle-NH2 is C58H69N13O11.
What is the molecular weight of Bz-K(Nbd)-awfpp-nle-NH2?
The molecular weight of Bz-K(Nbd)-awfpp-nle-NH2 is 1123.52 g/mol.
Where can I buy Bz-K(Nbd)-awfpp-nle-NH2?
You can request a quote for Bz-K(Nbd)-awfpp-nle-NH2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bz-K(Nbd)-awfpp-nle-NH2?
Yes, KEHONG BIO provides custom synthesis services for Bz-K(Nbd)-awfpp-nle-NH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.