B 3852
TL;DR: B 3852 (CAS 117201-47-5) is a chemical compound with molecular formula C55H74F3N15O11 and molecular weight 1177.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
Also Known As: B 3852, B-3852, Arg-pro-hyp-gly-phe-ser-phe-phe-arg-trifluoroacetic acid, 3-(Trans-4-hydroxy-L-proline)-7-L-phenylalanine-8-(N-(4-((aminoiminomethyl)amino)-1-(trifluoroacetyl)butyl)-L-phenylalaninamide)-9-de-L-argininebradykinin, (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
| Molecular Formula | C55H74F3N15O11 |
|---|---|
| Molecular Weight | 1177.56 g/mol |
| LogP | -3.2343 |
| Topological Polar Surface Area | 427.57 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1177.5645 |
| Heavy Atoms | 84 |
| Complexity | 2793.2468 |
Chemical Identifiers
| CAS Number | 117201-47-5 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)C(F)(F)F)O |
Product Overview
B 3852 (CAS 117201-47-5), with molecular formula C55H74F3N15O11 and molecular weight 1177.56 g/mol. IUPAC: (2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of B 3852
Property Insights of B 3852
The XLogP value of -3.2343 indicates that B 3852 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.57 Ų indicates high polarity, suggesting B 3852 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B 3852 has 13 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 B 3852?
The CAS number of B 3852 is 117201-47-5.
What is the molecular formula of B 3852?
The molecular formula of B 3852 is C55H74F3N15O11.
What is the molecular weight of B 3852?
The molecular weight of B 3852 is 1177.56 g/mol.
Where can I buy B 3852?
You can request a quote for B 3852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 3852?
Yes, KEHONG BIO provides custom synthesis services for B 3852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.