Chymostatin B
TL;DR: Chymostatin B (CAS 51759-77-4) is a chemical compound with molecular formula C30H39N7O6 and molecular weight 593.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Also Known As: Chymostatin B, 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid, L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyridyl)-N-(((1-carboxyphenethyl)amino)carbonyl)glycyl-N-(1-formylphenethyl)-L-valinamide, stereoisomer, n-{[1-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-({3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl}amino)-2-oxoethyl]carbamoyl}phenylalanine, 257-383-4
| Molecular Formula | C30H39N7O6 |
|---|---|
| Molecular Weight | 593.30 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 593.2962 |
| Heavy Atoms | 43 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 51759-77-4 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O |
| InChIKey | BTAKGODFEIZKSQ-UHFFFAOYSA-N |
Product Overview
Chymostatin B (CAS 51759-77-4), with molecular formula C30H39N7O6 and molecular weight 593.30 g/mol. IUPAC: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid.
Chemical Property Profile of Chymostatin B
Property Insights of Chymostatin B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chymostatin B. The TPSA of 204.0 Ų indicates high polarity, suggesting Chymostatin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chymostatin B has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chymostatin B?
The CAS number of Chymostatin B is 51759-77-4.
What is the molecular formula of Chymostatin B?
The molecular formula of Chymostatin B is C30H39N7O6.
What is the molecular weight of Chymostatin B?
The molecular weight of Chymostatin B is 593.30 g/mol.
Where can I buy Chymostatin B?
You can request a quote for Chymostatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chymostatin B?
Yes, KEHONG BIO provides custom synthesis services for Chymostatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.