Antipain (dihydrochloride)
TL;DR: Antipain (dihydrochloride) (CAS 37691-11-5) is a chemical compound with molecular formula C27H44N10O6 and molecular weight 604.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
Also Known As: Antipain, Antipain.2HCl, Antipain (Synthetic), Antipain dihydrochloride, Antipain (dihydrochloride)
| Molecular Formula | C27H44N10O6 |
|---|---|
| Molecular Weight | 604.34 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 283.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 604.34454 |
| Heavy Atoms | 43 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 37691-11-5 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | SDNYTAYICBFYFH-UHFFFAOYSA-N |
Product Overview
Antipain (dihydrochloride) (CAS 37691-11-5), with molecular formula C27H44N10O6 and molecular weight 604.34 g/mol. IUPAC: 2-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid.
Chemical Property Profile of Antipain (dihydrochloride)
Property Insights of Antipain (dihydrochloride)
The XLogP value of -2.7 indicates that Antipain (dihydrochloride) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 283.0 Ų indicates high polarity, suggesting Antipain (dihydrochloride) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antipain (dihydrochloride) has 9 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antipain (dihydrochloride)?
The CAS number of Antipain (dihydrochloride) is 37691-11-5.
What is the molecular formula of Antipain (dihydrochloride)?
The molecular formula of Antipain (dihydrochloride) is C27H44N10O6.
What is the molecular weight of Antipain (dihydrochloride)?
The molecular weight of Antipain (dihydrochloride) is 604.34 g/mol.
Where can I buy Antipain (dihydrochloride)?
You can request a quote for Antipain (dihydrochloride) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipain (dihydrochloride)?
Yes, KEHONG BIO provides custom synthesis services for Antipain (dihydrochloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.