H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2
TL;DR: H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 (CAS 550-21-0) is a chemical compound with molecular formula C41H63N11O12S2 and molecular weight 965.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[19-amino-7-(2-amino-2-oxoethyl)-13-butan-2-yl-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: isotocin, 4-Ser-8-ile-oxytocin, [Ser4,lle8]-Oxytocin, (Ser4,Ile8)-Oxytocin, [Ser4, Ile8]Oxytocin
| Molecular Formula | C41H63N11O12S2 |
|---|---|
| Molecular Weight | 965.41 g/mol |
| LogP | -3.8818 |
| Topological Polar Surface Area | 376.67 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 965.4099 |
| Heavy Atoms | 66 |
| Complexity | 1929.3082 |
Chemical Identifiers
| CAS Number | 550-21-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CO |
Product Overview
H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 (CAS 550-21-0), with molecular formula C41H63N11O12S2 and molecular weight 965.41 g/mol. IUPAC: 1-[19-amino-7-(2-amino-2-oxoethyl)-13-butan-2-yl-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2
Property Insights of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2
The XLogP value of -3.8818 indicates that H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 376.67 Ų indicates high polarity, suggesting H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2?
The CAS number of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 is 550-21-0.
What is the molecular formula of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2?
The molecular formula of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 is C41H63N11O12S2.
What is the molecular weight of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2?
The molecular weight of H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 is 965.41 g/mol.
Where can I buy H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2?
You can request a quote for H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2?
Yes, KEHONG BIO provides custom synthesis services for H-DL-Cys(1)-DL-Tyr-DL-xiIle-DL-Ser-DL-Asn-DL-Cys(1)-DL-Pro-DL-xiIle-Gly-NH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.