Oxytocin, 1-desaminopenicillamyl-orn(8)-
TL;DR: Oxytocin, 1-desaminopenicillamyl-orn(8)- (CAS 72915-18-5) is a chemical compound with molecular formula C44H68N12O12S2 and molecular weight 1020.45 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-hydroxyphenyl)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: dPOVT, 1-Deaminopenicillamyl-8-orn-oxytocin, Oxytocin, 1-desaminopenicillamyl-orn(8)-, Oxytocin, 1-desaminopenicillamyl-ornithine(8)-, 1-(3-Mercapto-3-methylbutanoic acid)-8-L-ornithineoxytocin
| Molecular Formula | C44H68N12O12S2 |
|---|---|
| Molecular Weight | 1020.45 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 1020.4521 |
| Heavy Atoms | 70 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 72915-18-5 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)(C)C)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | BKRFXHBDNNTONS-UHFFFAOYSA-N |
Product Overview
Oxytocin, 1-desaminopenicillamyl-orn(8)- (CAS 72915-18-5), with molecular formula C44H68N12O12S2 and molecular weight 1020.45 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-hydroxyphenyl)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-desaminopenicillamyl-orn(8)-
Property Insights of Oxytocin, 1-desaminopenicillamyl-orn(8)-
The XLogP value of -3.1 indicates that Oxytocin, 1-desaminopenicillamyl-orn(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting Oxytocin, 1-desaminopenicillamyl-orn(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-desaminopenicillamyl-orn(8)- has 12 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 Oxytocin, 1-desaminopenicillamyl-orn(8)-?
The CAS number of Oxytocin, 1-desaminopenicillamyl-orn(8)- is 72915-18-5.
What is the molecular formula of Oxytocin, 1-desaminopenicillamyl-orn(8)-?
The molecular formula of Oxytocin, 1-desaminopenicillamyl-orn(8)- is C44H68N12O12S2.
What is the molecular weight of Oxytocin, 1-desaminopenicillamyl-orn(8)-?
The molecular weight of Oxytocin, 1-desaminopenicillamyl-orn(8)- is 1020.45 g/mol.
Where can I buy Oxytocin, 1-desaminopenicillamyl-orn(8)-?
You can request a quote for Oxytocin, 1-desaminopenicillamyl-orn(8)- 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-orn(8)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-desaminopenicillamyl-orn(8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.