Oxytocin, 1-desaminopenicillamyl-leu(2)-
TL;DR: Oxytocin, 1-desaminopenicillamyl-leu(2)- (CAS 98206-62-3) is a chemical compound with molecular formula C42H71N11O11S2 and molecular weight 969.48 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]-3-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-di(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: dPLOT, 1-Deaminopenicillamyl-2-leu-oxytocin, Oxytocin, 1-desaminopenicillamyl-leu(2)-, Oxytocin, 1-desaminopenicillamyl-leucine(2)-, 1-{[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-di(butan-2-yl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolylisoleucylglycinamide
| Molecular Formula | C42H71N11O11S2 |
|---|---|
| Molecular Weight | 969.48 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 969.4776 |
| Heavy Atoms | 66 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 98206-62-3 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)N1)(C)C)C(=O)N2CCCC2C(=O)NC(C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC |
| InChIKey | XMOONRQYUXCDEX-UHFFFAOYSA-N |
Product Overview
Oxytocin, 1-desaminopenicillamyl-leu(2)- (CAS 98206-62-3), with molecular formula C42H71N11O11S2 and molecular weight 969.48 g/mol. IUPAC: N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-di(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-leu(2)-
Property Insights of Oxytocin, 1-desaminopenicillamyl-leu(2)-
The XLogP value of -1.1 indicates that Oxytocin, 1-desaminopenicillamyl-leu(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-leu(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-desaminopenicillamyl-leu(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-leu(2)-?
The CAS number of Oxytocin, 1-desaminopenicillamyl-leu(2)- is 98206-62-3.
What is the molecular formula of Oxytocin, 1-desaminopenicillamyl-leu(2)-?
The molecular formula of Oxytocin, 1-desaminopenicillamyl-leu(2)- is C42H71N11O11S2.
What is the molecular weight of Oxytocin, 1-desaminopenicillamyl-leu(2)-?
The molecular weight of Oxytocin, 1-desaminopenicillamyl-leu(2)- is 969.48 g/mol.
Where can I buy Oxytocin, 1-desaminopenicillamyl-leu(2)-?
You can request a quote for Oxytocin, 1-desaminopenicillamyl-leu(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-leu(2)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-desaminopenicillamyl-leu(2)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.