Rotihibin A
TL;DR: Rotihibin A (CAS 142689-34-7) is a chemical compound with molecular formula C35H63N11O13 and molecular weight 845.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide
Also Known As: Rotihibin A, (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide, L-Aspartamide, N5-(aminocarbonyl)-N2-(1-oxo-2-decenyl)-D-ornithyl-L-seryl-N4-L-allothreonyl-L-2,4-diaminobutanoyl-N1-(3-amino-1-(hydroxymethyl)-3-oxopropyl)-3-hydroxy-, (1(Z),4(threo-(S)))-
| Molecular Formula | C35H63N11O13 |
|---|---|
| Molecular Weight | 845.46 g/mol |
| LogP | -6.2223 |
| Topological Polar Surface Area | 428.04 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 30 |
| Exact Mass | 845.4607 |
| Heavy Atoms | 59 |
| Complexity | 1449.3832 |
Chemical Identifiers
| CAS Number | 142689-34-7 |
|---|---|
| SMILES | CCCCCCC/C=C\C(=O)N[C@H](CCCNC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C(=O)N)O)C(=O)N([C@@H](CC(=O)N)CO)C(=O)C(CCNC(=O)[C@H]([C@H](C)O)N)N |
Product Overview
Rotihibin A (CAS 142689-34-7), with molecular formula C35H63N11O13 and molecular weight 845.46 g/mol. IUPAC: (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide.
Chemical Property Profile of Rotihibin A
Property Insights of Rotihibin A
The XLogP value of -6.2223 indicates that Rotihibin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 428.04 Ų indicates high polarity, suggesting Rotihibin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rotihibin A has 14 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 Rotihibin A?
The CAS number of Rotihibin A is 142689-34-7.
What is the molecular formula of Rotihibin A?
The molecular formula of Rotihibin A is C35H63N11O13.
What is the molecular weight of Rotihibin A?
The molecular weight of Rotihibin A is 845.46 g/mol.
Where can I buy Rotihibin A?
You can request a quote for Rotihibin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotihibin A?
Yes, KEHONG BIO provides custom synthesis services for Rotihibin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.