Oxytocin, 1-desaminopenicillamyl-phe(2)-
TL;DR: Oxytocin, 1-desaminopenicillamyl-phe(2)- (CAS 946-08-7) is a chemical compound with molecular formula C45H69N11O11S2 and molecular weight 1003.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-butan-2-yl-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: OXAPP, 1-Deaminopenicillamine-2-phe-oxytocin, Oxytocin, 1-desaminopenicillamyl-phe(2)-, Oxytocin, 1-desaminopenicillamyl-phenylalanyl(2)-, N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-butan-2-yl-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 | C45H69N11O11S2 |
|---|---|
| Molecular Weight | 1003.46 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 1003.4619 |
| Heavy Atoms | 69 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 946-08-7 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)NC(C(=O)N1)CC2=CC=CC=C2)(C)C)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | SJNHVFYSJNBCKE-UHFFFAOYSA-N |
Product Overview
Oxytocin, 1-desaminopenicillamyl-phe(2)- (CAS 946-08-7), with molecular formula C45H69N11O11S2 and molecular weight 1003.46 g/mol. IUPAC: N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-butan-2-yl-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-desaminopenicillamyl-phe(2)-
Property Insights of Oxytocin, 1-desaminopenicillamyl-phe(2)-
The XLogP value of -0.8 indicates that Oxytocin, 1-desaminopenicillamyl-phe(2)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting Oxytocin, 1-desaminopenicillamyl-phe(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-desaminopenicillamyl-phe(2)- has 10 hydrogen bond donor(s) and 13 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-desaminopenicillamyl-phe(2)-?
The CAS number of Oxytocin, 1-desaminopenicillamyl-phe(2)- is 946-08-7.
What is the molecular formula of Oxytocin, 1-desaminopenicillamyl-phe(2)-?
The molecular formula of Oxytocin, 1-desaminopenicillamyl-phe(2)- is C45H69N11O11S2.
What is the molecular weight of Oxytocin, 1-desaminopenicillamyl-phe(2)-?
The molecular weight of Oxytocin, 1-desaminopenicillamyl-phe(2)- is 1003.46 g/mol.
Where can I buy Oxytocin, 1-desaminopenicillamyl-phe(2)-?
You can request a quote for Oxytocin, 1-desaminopenicillamyl-phe(2)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 1-desaminopenicillamyl-phe(2)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-desaminopenicillamyl-phe(2)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.