N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide
TL;DR: N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide (CAS 1745-31-9) is a chemical compound with molecular formula C33H41F3N10O7 and molecular weight 746.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: Z-Ala-arg-arg-afc, N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide, n-[(benzyloxy)carbonyl]-l-alanyl-n5-(diaminomethylidene)-l-ornithyl-n5-(diaminomethylidene)-n-[2-oxo-4-(trifluoromethyl)-2h-chromen-7-yl]ornithinamide, (5S,8S)-8,11-Bis[3-(carbamimidoylamino)propyl]-3,6,9-trihydroxy-5-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acid, 8,11-Bis(3-carbamimidamidopropyl)-3,6,9-trihydroxy-5-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acid
| Molecular Formula | C33H41F3N10O7 |
|---|---|
| Molecular Weight | 746.31 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 746.31116 |
| Heavy Atoms | 53 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 1745-31-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | PWPGGFDNLWOQAK-WOPGWRJJSA-N |
Product Overview
N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide (CAS 1745-31-9), with molecular formula C33H41F3N10O7 and molecular weight 746.31 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide
Property Insights of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide. The TPSA of 281.0 Ų indicates high polarity, suggesting N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide?
The CAS number of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide is 1745-31-9.
What is the molecular formula of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide?
The molecular formula of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide is C33H41F3N10O7.
What is the molecular weight of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide?
The molecular weight of N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide is 746.31 g/mol.
Where can I buy N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide?
You can request a quote for N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyloxycarbonylalanyl-arginyl-arginyl-4-trifluoromethyl-7-coumarylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.