deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2
TL;DR: deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 (CAS 117580-24-2) is a chemical compound with molecular formula C46H59N9O8S2 and molecular weight 929.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7S,10S,13R,16S)-10-(4-aminobutyl)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: 3-Mercaptopropionyl-Tyr-D-Trp-Lys-Val-Cys-Phe-NH2, (Disulfide bond between Deamino-Cys1 and Cys6)
| Molecular Formula | C46H59N9O8S2 |
|---|---|
| Molecular Weight | 929.39 g/mol |
| LogP | 1.8656 |
| Topological Polar Surface Area | 279.73 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 929.3928 |
| Heavy Atoms | 65 |
| Complexity | 2259.4375 |
Chemical Identifiers
| CAS Number | 117580-24-2 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CSSCCC(=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=C(C=C4)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N |
Product Overview
deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 (CAS 117580-24-2), with molecular formula C46H59N9O8S2 and molecular weight 929.39 g/mol. IUPAC: (4R,7S,10S,13R,16S)-10-(4-aminobutyl)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2
Property Insights of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2
The XLogP value of 1.8656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2. The TPSA of 279.73 Ų indicates high polarity, suggesting deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 has 10 hydrogen bond donor(s) and 11 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)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2?
The CAS number of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 is 117580-24-2.
What is the molecular formula of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2?
The molecular formula of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 is C46H59N9O8S2.
What is the molecular weight of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2?
The molecular weight of deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 is 929.39 g/mol.
Where can I buy deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2?
You can request a quote for deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-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)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2?
Yes, KEHONG BIO provides custom synthesis services for deamino-Cys(1)-Tyr-D-Trp-Lys-Val-Cys(1)-Phe-NH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.