Vasotocin, 1-deamino-7-lys-8-arg-
TL;DR: Vasotocin, 1-deamino-7-lys-8-arg- (CAS 30778-27-9) is a chemical compound with molecular formula C44H71N15O12S2 and molecular weight 1065.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7S,10S,16S)-N-[(2S)-6-amino-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: 1-Dla-vasotocin, Vasotocin, 1-deamino-7-lys-8-arg-, 1-Deamino-7-lysyl-8-arginine-vasotocin, Vasotocin, 1-desamino-7-lysyl-8-arginine-, (4R,7S,10S,16S)-N-[(2S)-6-amino-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
| Molecular Formula | C44H71N15O12S2 |
|---|---|
| Molecular Weight | 1065.48 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 523.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 1065.4849 |
| Heavy Atoms | 73 |
| Complexity | 1940.0 |
Chemical Identifiers
| CAS Number | 30778-27-9 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | VZZOSXOAMYZTAW-PTIHLYNMSA-N |
Product Overview
Vasotocin, 1-deamino-7-lys-8-arg- (CAS 30778-27-9), with molecular formula C44H71N15O12S2 and molecular weight 1065.48 g/mol. IUPAC: (4R,7S,10S,16S)-N-[(2S)-6-amino-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of Vasotocin, 1-deamino-7-lys-8-arg-
Property Insights of Vasotocin, 1-deamino-7-lys-8-arg-
The XLogP value of -4.8 indicates that Vasotocin, 1-deamino-7-lys-8-arg- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 523.0 Ų indicates high polarity, suggesting Vasotocin, 1-deamino-7-lys-8-arg- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vasotocin, 1-deamino-7-lys-8-arg- has 15 hydrogen bond donor(s) and 16 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-deamino-7-lys-8-arg-?
The CAS number of Vasotocin, 1-deamino-7-lys-8-arg- is 30778-27-9.
What is the molecular formula of Vasotocin, 1-deamino-7-lys-8-arg-?
The molecular formula of Vasotocin, 1-deamino-7-lys-8-arg- is C44H71N15O12S2.
What is the molecular weight of Vasotocin, 1-deamino-7-lys-8-arg-?
The molecular weight of Vasotocin, 1-deamino-7-lys-8-arg- is 1065.48 g/mol.
Where can I buy Vasotocin, 1-deamino-7-lys-8-arg-?
You can request a quote for Vasotocin, 1-deamino-7-lys-8-arg- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vasotocin, 1-deamino-7-lys-8-arg-?
Yes, KEHONG BIO provides custom synthesis services for Vasotocin, 1-deamino-7-lys-8-arg- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.