68630-75-1 (Free base)
TL;DR: 68630-75-1 (Free base) (CAS 57982-77-1) is a chemical compound with molecular formula C60H86N16O13 and molecular weight 1238.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Also Known As: BUSERELIN, Etilamide, Buserelin acetate, Buserelin (Acetate), Buserelin [INN:BAN]
| Molecular Formula | C60H86N16O13 |
|---|---|
| Molecular Weight | 1238.66 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 441.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Exact Mass | 1238.656 |
| Heavy Atoms | 89 |
| Complexity | 2450.0 |
Chemical Identifiers
| CAS Number | 57982-77-1 |
|---|---|
| SMILES | CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6 |
| InChIKey | CUWODFFVMXJOKD-UHFFFAOYSA-N |
Product Overview
68630-75-1 (Free base) (CAS 57982-77-1), with molecular formula C60H86N16O13 and molecular weight 1238.66 g/mol. IUPAC: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Chemical Property Profile of 68630-75-1 (Free base)
Property Insights of 68630-75-1 (Free base)
The XLogP value of -0.1 indicates that 68630-75-1 (Free base) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.0 Ų indicates high polarity, suggesting 68630-75-1 (Free base) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 68630-75-1 (Free base) has 15 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 68630-75-1 (Free base)?
The CAS number of 68630-75-1 (Free base) is 57982-77-1.
What is the molecular formula of 68630-75-1 (Free base)?
The molecular formula of 68630-75-1 (Free base) is C60H86N16O13.
What is the molecular weight of 68630-75-1 (Free base)?
The molecular weight of 68630-75-1 (Free base) is 1238.66 g/mol.
Where can I buy 68630-75-1 (Free base)?
You can request a quote for 68630-75-1 (Free base) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 68630-75-1 (Free base)?
Yes, KEHONG BIO provides custom synthesis services for 68630-75-1 (Free base) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.