Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-
TL;DR: Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- (CAS 70056-25-6) is a chemical compound with molecular formula C45H70N10O12S2 and molecular weight 1006.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16S)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-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: Oxapmtt, KST-1B9140, 1-Desaminopenicillamyl-2-meo-tyr-4-thr-oxytocin, Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-, Oxytocin, 1-deaminopenicillamyl-O-methyltyrosyl(2)-threonyl(4)-
| Molecular Formula | C45H70N10O12S2 |
|---|---|
| Molecular Weight | 1006.46 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 390.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 1006.4616 |
| Heavy Atoms | 69 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 70056-25-6 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC(CC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)(C)C)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O |
| InChIKey | ZXHAQJSRGRIXJY-VYKVSDTASA-N |
Product Overview
Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- (CAS 70056-25-6), with molecular formula C45H70N10O12S2 and molecular weight 1006.46 g/mol. IUPAC: N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16S)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-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 Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-
Property Insights of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-. The TPSA of 390.0 Ų indicates high polarity, suggesting Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- has 10 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-deaminopenicillamyl-meo-tyr(2)-thr(4)-?
The CAS number of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- is 70056-25-6.
What is the molecular formula of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-?
The molecular formula of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- is C45H70N10O12S2.
What is the molecular weight of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-?
The molecular weight of Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- is 1006.46 g/mol.
Where can I buy Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-?
You can request a quote for Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.