oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-
TL;DR: oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- (CAS 74221-74-2) is a chemical compound with molecular formula C42H63N11O12S2 and molecular weight 977.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(7-hydroxy-3,8-dithiatricyclo[5.1.0.02,4]octa-1,5-dien-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
Also Known As: Maiaspo, OXMIA, 1-alpha-Mercaptoacetic acid-5-iso-asn-oxytocin, Oxytocin, 1-alpha-mercaptoacetic acid-iso-asn(5)-, Oxytocin, 1-alpha-mercaptoacetic acid-isoasparagine(5)-
| Molecular Formula | C42H63N11O12S2 |
|---|---|
| Molecular Weight | 977.41 g/mol |
| LogP | -3.1469 |
| Topological Polar Surface Area | 373.51 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 977.4099 |
| Heavy Atoms | 67 |
| Complexity | 2086.6006 |
Chemical Identifiers
| CAS Number | 74221-74-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC23C=CC4(C(=C2S3)S4)O)NC(=O)C |
Product Overview
oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- (CAS 74221-74-2), with molecular formula C42H63N11O12S2 and molecular weight 977.41 g/mol. IUPAC: (2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(7-hydroxy-3,8-dithiatricyclo[5.1.0.02,4]octa-1,5-dien-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide.
Chemical Property Profile of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-
Property Insights of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-
The XLogP value of -3.1469 indicates that oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 373.51 Ų indicates high polarity, suggesting oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- 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-alpha-mercaptoacetic acid-iso-Asn(5)-?
The CAS number of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- is 74221-74-2.
What is the molecular formula of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-?
The molecular formula of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- is C42H63N11O12S2.
What is the molecular weight of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-?
The molecular weight of oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- is 977.41 g/mol.
Where can I buy oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-?
You can request a quote for oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)-?
Yes, KEHONG BIO provides custom synthesis services for oxytocin, 1-alpha-mercaptoacetic acid-iso-Asn(5)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.