B 4310
TL;DR: B 4310 (CAS 103412-40-4) 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 4310
(2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pentanoic acid
Also Known As: Lys-lys-3-hyp-5,8-(thi-ala)-7-phe-, B 4310, Bradykinin, lys-lys-3-hyp-5,8-thi-7-phe-, B-4310, Bradykinin, lys-lys-hyp(3)-(thi-ala)(5,8)-phe(7)-
| Molecular Formula | C62H95N19O14S2 |
|---|---|
| Molecular Weight | 1393.67 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 643.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 42 |
| Exact Mass | 1393.6747 |
| Heavy Atoms | 97 |
| Complexity | 2730.0 |
Chemical Identifiers
| CAS Number | 103412-40-4 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)C(CCN=C(N)N)[C@@](C(=O)CNC(=O)[C@@H]2C[C@H](CN2)O)(C(=O)O)N(C(=O)[C@H](CC3=CC=CS3)N)C(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)N |
| InChIKey | IWARKKORVVZCCH-XCXQOIGMSA-N |
Product Overview
B 4310 (CAS 103412-40-4), with molecular formula C62H95N19O14S2 and molecular weight 1393.67 g/mol. IUPAC: (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pentanoic acid.
Chemical Property Profile of B 4310
Property Insights of B 4310
The XLogP value of -7.4 indicates that B 4310 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 643.0 Ų indicates high polarity, suggesting B 4310 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B 4310 has 18 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 4310?
The CAS number of B 4310 is 103412-40-4.
What is the molecular formula of B 4310?
The molecular formula of B 4310 is C62H95N19O14S2.
What is the molecular weight of B 4310?
The molecular weight of B 4310 is 1393.67 g/mol.
Where can I buy B 4310?
You can request a quote for B 4310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 4310?
Yes, KEHONG BIO provides custom synthesis services for B 4310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.