1-去氨基青霉胺催产素
TL;DR: 1-去氨基青霉胺催产素 (CAS 77172-69-1) is a chemical compound with molecular formula C45H69N11O12S2 and molecular weight 1019.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-去氨基青霉胺催产素
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: 1-Deaminopenicillamine-oxytocin, Oxytocin, 1-deaminopenicillamine-, KST-1B8503, 1-(3-Mercapto-3-methylbutanoic acid)oxytocin, Oxytocin, 1-(3-mercapto-3-methylbutanoic acid)-
| Molecular Formula | C45H69N11O12S2 |
|---|---|
| Molecular Weight | 1019.46 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 424.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1019.45685 |
| Heavy Atoms | 70 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 77172-69-1 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC(CC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | IZIWNJRAVSDMFB-DEOFYFBKSA-N |
Product Overview
1-去氨基青霉胺催产素 (CAS 77172-69-1), with molecular formula C45H69N11O12S2 and molecular weight 1019.46 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of 1-去氨基青霉胺催产素
Property Insights of 1-去氨基青霉胺催产素
The XLogP value of -1.1 indicates that 1-去氨基青霉胺催产素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 424.0 Ų indicates high polarity, suggesting 1-去氨基青霉胺催产素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-去氨基青霉胺催产素 has 11 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 1-去氨基青霉胺催产素?
The CAS number of 1-去氨基青霉胺催产素 is 77172-69-1.
What is the molecular formula of 1-去氨基青霉胺催产素?
The molecular formula of 1-去氨基青霉胺催产素 is C45H69N11O12S2.
What is the molecular weight of 1-去氨基青霉胺催产素?
The molecular weight of 1-去氨基青霉胺催产素 is 1019.46 g/mol.
Where can I buy 1-去氨基青霉胺催产素?
You can request a quote for 1-去氨基青霉胺催产素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-去氨基青霉胺催产素?
Yes, KEHONG BIO provides custom synthesis services for 1-去氨基青霉胺催产素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.