杆菌肽
TL;DR: 杆菌肽 (CAS 1405-87-4) is a chemical compound with molecular formula C66H103N17O16S and molecular weight 1421.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杆菌肽
4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-butan-2-yl-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylamino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: bacitracin, Spectrum2_000739, Spectrum3_000309, Spectrum4_001773, Spectrum5_000385
| Molecular Formula | C66H103N17O16S |
|---|---|
| Molecular Weight | 1421.75 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 556.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 35 |
| Exact Mass | 1421.7489 |
| Heavy Atoms | 100 |
| Complexity | 2850.0 |
Chemical Identifiers
| CAS Number | 1405-87-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CCCCNC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 |
| InChIKey | VRKHYMXTJQCIND-UHFFFAOYSA-N |
Product Overview
杆菌肽 (CAS 1405-87-4), with molecular formula C66H103N17O16S and molecular weight 1421.75 g/mol. IUPAC: 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-butan-2-yl-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylamino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 杆菌肽
Property Insights of 杆菌肽
The XLogP value of -4.1 indicates that 杆菌肽 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 556.0 Ų indicates high polarity, suggesting 杆菌肽 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 杆菌肽 has 17 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 杆菌肽?
The CAS number of 杆菌肽 is 1405-87-4.
What is the molecular formula of 杆菌肽?
The molecular formula of 杆菌肽 is C66H103N17O16S.
What is the molecular weight of 杆菌肽?
The molecular weight of 杆菌肽 is 1421.75 g/mol.
Where can I buy 杆菌肽?
You can request a quote for 杆菌肽 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 杆菌肽?
Yes, KEHONG BIO provides custom synthesis services for 杆菌肽 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.