等體制素
TL;DR: 等體制素 (CAS 760176-26-9) is a chemical compound with molecular formula C49H66N10O10S2 and molecular weight 1018.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
等體制素
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: Octreotide, Octreotide acetate, Octreotida, Octreotidum, Sandostatin
| Molecular Formula | C49H66N10O10S2 |
|---|---|
| Molecular Weight | 1018.44 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 383.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1018.4405 |
| Heavy Atoms | 71 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 760176-26-9 |
|---|---|
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O |
| InChIKey | DEQANNDTNATYII-OULOTJBUSA-N |
Product Overview
等體制素 (CAS 760176-26-9), with molecular formula C49H66N10O10S2 and molecular weight 1018.44 g/mol. IUPAC: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of 等體制素
Property Insights of 等體制素
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 等體制素. The TPSA of 383.0 Ų indicates high polarity, suggesting 等體制素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 等體制素 has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 等體制素?
The CAS number of 等體制素 is 760176-26-9.
What is the molecular formula of 等體制素?
The molecular formula of 等體制素 is C49H66N10O10S2.
What is the molecular weight of 等體制素?
The molecular weight of 等體制素 is 1018.44 g/mol.
Where can I buy 等體制素?
You can request a quote for 等體制素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 等體制素?
Yes, KEHONG BIO provides custom synthesis services for 等體制素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.