Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-
TL;DR: Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- (CAS 946-12-3) is a chemical compound with molecular formula C45H70N12O12S2 and molecular weight 1034.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-methoxyphenyl)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: Dpomeovt, 1-Deaminopenicillamyl-2-(O-Me-tyr)-8-orn-vasotocin, Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-, Vasotocin, 1-desaminopenicillamyl-O-methyltyrosyl(2)-ornithinine(8)-, N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
| Molecular Formula | C45H70N12O12S2 |
|---|---|
| Molecular Weight | 1034.47 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 439.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 1034.4678 |
| Heavy Atoms | 71 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 946-12-3 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)(C)C)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | RZDRLQFTCGODFV-UHFFFAOYSA-N |
Product Overview
Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- (CAS 946-12-3), with molecular formula C45H70N12O12S2 and molecular weight 1034.47 g/mol. IUPAC: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-methoxyphenyl)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 Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-
Property Insights of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-
The XLogP value of -2.7 indicates that Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 439.0 Ų indicates high polarity, suggesting Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- has 11 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 Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-?
The CAS number of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- is 946-12-3.
What is the molecular formula of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-?
The molecular formula of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- is C45H70N12O12S2.
What is the molecular weight of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-?
The molecular weight of Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- is 1034.47 g/mol.
Where can I buy Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-?
You can request a quote for Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)-?
Yes, KEHONG BIO provides custom synthesis services for Vasotocin, 1-desaminopenicillamyl-(tyr-ome)(2)-orn(8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.