Antipain dihydrochloride
TL;DR: Antipain dihydrochloride (CAS 37682-72-7) is a chemical compound with molecular formula C27H46Cl2N10O6 and molecular weight 676.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid;dihydrochloride
Also Known As: Antipain dihydrochloride, 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid dihydrochloride, L-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, dihydrochloride, N-(((5-Carbamimidamido-1-((N-(5-carbamimidamido-1-oxopentan-2-yl)valyl)imino)-1-hydroxypentan-2-yl)imino)(hydroxy)methyl)phenylalanine--hydrogen chloride (1/2), N-[{[(2S)-5-(Carbamimidoylamino)-1-({N-[5-(carbamimidoylamino)-1-oxopentan-2-yl]-L-valyl}imino)-1-hydroxypentan-2-yl]imino}(hydroxy)methyl]phenylalanine--hydrogen chloride (1/2)
| Molecular Formula | C27H46Cl2N10O6 |
|---|---|
| Molecular Weight | 676.30 g/mol |
| LogP | -0.8746 |
| Topological Polar Surface Area | 282.5 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 676.2979 |
| Heavy Atoms | 45 |
| Complexity | 1132.3173 |
Chemical Identifiers
| CAS Number | 37682-72-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(CCCN=C(N)N)C=O.Cl.Cl |
Product Overview
Antipain dihydrochloride (CAS 37682-72-7), with molecular formula C27H46Cl2N10O6 and molecular weight 676.30 g/mol. IUPAC: 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid;dihydrochloride.
Chemical Property Profile of Antipain dihydrochloride
Property Insights of Antipain dihydrochloride
The XLogP value of -0.8746 indicates that Antipain dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.5 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 37682-72-7.
What is the molecular formula of Antipain dihydrochloride?
The molecular formula of Antipain dihydrochloride is C27H46Cl2N10O6.
What is the molecular weight of Antipain dihydrochloride?
The molecular weight of Antipain dihydrochloride is 676.30 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.