鳥氨酸加壓素
TL;DR: 鳥氨酸加壓素 (CAS 3397-23-7) is a chemical compound with molecular formula C45H63N13O12S2 and molecular weight 1041.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鳥氨酸加壓素
N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: ORNIPRESSIN, Orpressin, Ornipressin acetate, Ornipressinum, Ornipresina
| Molecular Formula | C45H63N13O12S2 |
|---|---|
| Molecular Weight | 1041.42 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 476.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 1041.416 |
| Heavy Atoms | 72 |
| Complexity | 1940.0 |
Chemical Identifiers
| CAS Number | 3397-23-7 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN)C(=O)NCC(=O)N |
| InChIKey | MUNMIGOEDGHVLE-UHFFFAOYSA-N |
Product Overview
鳥氨酸加壓素 (CAS 3397-23-7), with molecular formula C45H63N13O12S2 and molecular weight 1041.42 g/mol. IUPAC: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of 鳥氨酸加壓素
Property Insights of 鳥氨酸加壓素
The XLogP value of -4.2 indicates that 鳥氨酸加壓素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 476.0 Ų indicates high polarity, suggesting 鳥氨酸加壓素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 鳥氨酸加壓素 has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 鳥氨酸加壓素?
The CAS number of 鳥氨酸加壓素 is 3397-23-7.
What is the molecular formula of 鳥氨酸加壓素?
The molecular formula of 鳥氨酸加壓素 is C45H63N13O12S2.
What is the molecular weight of 鳥氨酸加壓素?
The molecular weight of 鳥氨酸加壓素 is 1041.42 g/mol.
Where can I buy 鳥氨酸加壓素?
You can request a quote for 鳥氨酸加壓素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鳥氨酸加壓素?
Yes, KEHONG BIO provides custom synthesis services for 鳥氨酸加壓素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.