B 4148
TL;DR: B 4148 (CAS 103412-37-9) is a chemical compound with molecular formula C62H95N19O14S2 and molecular weight 1393.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
B 4148
[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-7-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoate
Also Known As: Cid 128373, B 4148, Lys-lys-(2-hyp-5,8-thi-7-phe)-bradykinin, B-4148, Bradykinin, lys-lys-(hyp(2)-thi(5,8)-phe(7))-
| Molecular Formula | C62H95N19O14S2 |
|---|---|
| Molecular Weight | 1393.67 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 632.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 43 |
| Exact Mass | 1393.6747 |
| Heavy Atoms | 97 |
| Complexity | 2710.0 |
Chemical Identifiers
| CAS Number | 103412-37-9 |
|---|---|
| SMILES | C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N(C(=O)[C@H](CC3=CC(=CS3)O)N)[C@](CCCN=C(N)N)(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)OC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)N |
| InChIKey | HKNHKCVEWPZUNK-SZNSIZNJSA-N |
Product Overview
B 4148 (CAS 103412-37-9), with molecular formula C62H95N19O14S2 and molecular weight 1393.67 g/mol. IUPAC: [(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-7-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoate.
Chemical Property Profile of B 4148
Property Insights of B 4148
The XLogP value of -3.7 indicates that B 4148 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 632.0 Ų indicates high polarity, suggesting B 4148 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B 4148 has 17 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B 4148?
The CAS number of B 4148 is 103412-37-9.
What is the molecular formula of B 4148?
The molecular formula of B 4148 is C62H95N19O14S2.
What is the molecular weight of B 4148?
The molecular weight of B 4148 is 1393.67 g/mol.
Where can I buy B 4148?
You can request a quote for B 4148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 4148?
Yes, KEHONG BIO provides custom synthesis services for B 4148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.