4-丝氨酸脱氨基催产素酰胺
TL;DR: 4-丝氨酸脱氨基催产素酰胺 (CAS 5845-67-0) is a chemical compound with molecular formula C28H41N7O9S2 and molecular weight 683.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丝氨酸脱氨基催产素酰胺
(2S)-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxopropanoyl]amino]butanediamide
Also Known As: 4-Ser-deaminotocinamide, Deaminotocinamide, ser(4)-, Deaminotocinamide, serine(4)-, n-(3-sulfanylpropanoyl)-l-tyrosyl-l-isoleucyl-3-oxo-l-alanyl-l-asparaginyl-l-cysteinamide, (2S)-2-{[(2R)-1-Hydroxy-2-{[(2S,3S)-1-hydroxy-2-({(2S)-1-hydroxy-3-(4-hydroxyphenyl)-2-[(1-hydroxy-3-sulfanylpropylidene)amino]propylidene}amino)-3-methylpentylidene]amino}-3-oxopropylidene]amino}-N~1~-[(2R)-1-hydroxy-1-imino-3-sulfanylpropan-2-yl]butanediimidic acid
| Molecular Formula | C28H41N7O9S2 |
|---|---|
| Molecular Weight | 683.24 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 683.2407 |
| Heavy Atoms | 46 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 5845-67-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCS |
| InChIKey | NUBUSLAGZCIWQO-BVRLQDJESA-N |
Product Overview
4-丝氨酸脱氨基催产素酰胺 (CAS 5845-67-0), with molecular formula C28H41N7O9S2 and molecular weight 683.24 g/mol. IUPAC: (2S)-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxopropanoyl]amino]butanediamide.
Chemical Property Profile of 4-丝氨酸脱氨基催产素酰胺
Property Insights of 4-丝氨酸脱氨基催产素酰胺
The XLogP value of -1.6 indicates that 4-丝氨酸脱氨基催产素酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting 4-丝氨酸脱氨基催产素酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-丝氨酸脱氨基催产素酰胺 has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-丝氨酸脱氨基催产素酰胺?
The CAS number of 4-丝氨酸脱氨基催产素酰胺 is 5845-67-0.
What is the molecular formula of 4-丝氨酸脱氨基催产素酰胺?
The molecular formula of 4-丝氨酸脱氨基催产素酰胺 is C28H41N7O9S2.
What is the molecular weight of 4-丝氨酸脱氨基催产素酰胺?
The molecular weight of 4-丝氨酸脱氨基催产素酰胺 is 683.24 g/mol.
Where can I buy 4-丝氨酸脱氨基催产素酰胺?
You can request a quote for 4-丝氨酸脱氨基催产素酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丝氨酸脱氨基催产素酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-丝氨酸脱氨基催产素酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.