Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-
TL;DR: Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- (CAS 70056-23-4) is a chemical compound with molecular formula C47H72N10O12S2 and molecular weight 1032.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10R,13S,16S,22S)-13-(2-amino-2-oxoethyl)-19-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-22-[(4-hydroxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-, Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-, (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10S,16S,19S,22R)-19-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-10-[(4-hydroxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]pyrrolidine-2-carboxamide
| Molecular Formula | C47H72N10O12S2 |
|---|---|
| Molecular Weight | 1032.48 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 401.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 1032.4773 |
| Heavy Atoms | 71 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 70056-23-4 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCCCC2)CC(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O |
| InChIKey | ZAENIBJZBCHIPP-KWBWWMMESA-N |
Product Overview
Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- (CAS 70056-23-4), with molecular formula C47H72N10O12S2 and molecular weight 1032.48 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10R,13S,16S,22S)-13-(2-amino-2-oxoethyl)-19-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-22-[(4-hydroxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-
Property Insights of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-. The TPSA of 401.0 Ų indicates high polarity, suggesting Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- 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 Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-?
The CAS number of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- is 70056-23-4.
What is the molecular formula of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-?
The molecular formula of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- is C47H72N10O12S2.
What is the molecular weight of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-?
The molecular weight of Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- is 1032.48 g/mol.
Where can I buy Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-?
You can request a quote for Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.