deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2
TL;DR: deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 (CAS 113-78-0) is a chemical compound with molecular formula C43H65N11O12S2 and molecular weight 991.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-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: Deaminooxytocin, DEMOXYTOCIN, Sandopart, Demossitocina, Demoxytocinum
| Molecular Formula | C43H65N11O12S2 |
|---|---|
| Molecular Weight | 991.43 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 424.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 991.42554 |
| Heavy Atoms | 68 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 113-78-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | GTYWGUNQAMYZPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 (CAS 113-78-0), with molecular formula C43H65N11O12S2 and molecular weight 991.43 g/mol. IUPAC: N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-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 deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2
Property Insights of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2
The XLogP value of -1.8 indicates that deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 424.0 Ų indicates high polarity, suggesting deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 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 deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2?
The CAS number of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 is 113-78-0.
What is the molecular formula of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2?
The molecular formula of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 is C43H65N11O12S2.
What is the molecular weight of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2?
The molecular weight of deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 is 991.43 g/mol.
Where can I buy deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2?
You can request a quote for deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2?
Yes, KEHONG BIO provides custom synthesis services for deamino-Cys(1)-DL-Tyr-DL-xiIle-DL-Gln-DL-Asn-DL-Cys(1)-DL-Pro-DL-Leu-Gly-NH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.