B 4146
TL;DR: B 4146 (CAS 103433-42-7) is a chemical compound with molecular formula C50H71N15O12S2 and molecular weight 1137.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
B 4146
[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate
Also Known As: B 4146, trifluoroacetate salt, Arg-pro-hyp-gly-thi-ser-phe-thi-arg-OH, B 4146, Arg-pro-hyp-gly-thi-ser-phe-thi-arg tfa, B 4146, mono(trifluoroacetate salt)
| Molecular Formula | C50H71N15O12S2 |
|---|---|
| Molecular Weight | 1137.48 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 521.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 30 |
| Exact Mass | 1137.4849 |
| Heavy Atoms | 79 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 103433-42-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(C(=O)[C@H](C(C2=CC=CS2)C3=CC=CS3)N)[C@](CCCN=C(N)N)(C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N)C(=O)OC(=O)CNC(=O)[C@@H]5C[C@H](CN5)O)N |
| InChIKey | AQHOAWGFFNLKGK-MHTRQXILSA-N |
Product Overview
B 4146 (CAS 103433-42-7), with molecular formula C50H71N15O12S2 and molecular weight 1137.48 g/mol. IUPAC: [2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate.
Chemical Property Profile of B 4146
Property Insights of B 4146
The XLogP value of -3.5 indicates that B 4146 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 521.0 Ų indicates high polarity, suggesting B 4146 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B 4146 has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B 4146?
The CAS number of B 4146 is 103433-42-7.
What is the molecular formula of B 4146?
The molecular formula of B 4146 is C50H71N15O12S2.
What is the molecular weight of B 4146?
The molecular weight of B 4146 is 1137.48 g/mol.
Where can I buy B 4146?
You can request a quote for B 4146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 4146?
Yes, KEHONG BIO provides custom synthesis services for B 4146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.