SQ 31429
TL;DR: SQ 31429 (CAS 111394-11-7) is a chemical compound with molecular formula C68H112N22O13 and molecular weight 1444.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Also Known As: SQ 31429, Lys-arg-arg-trp-lys-lys-asp-phe-ile-ala-val, Lys-Arg-Arg-Trp-Lys-Lys-Asn-Phe-Ile-Ala-Val, Lysyl-arginyl-arginyl-tryptophyl-lysyl-lysyl-asparaginyl-phenylalanyl-isoleucyl-alanyl-valine, (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
| Molecular Formula | C68H112N22O13 |
|---|---|
| Molecular Weight | 1444.88 g/mol |
| LogP | -3.6954 |
| Topological Polar Surface Area | 620.06 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 50 |
| Exact Mass | 1444.8779 |
| Heavy Atoms | 103 |
| Complexity | 3308.0212 |
Chemical Identifiers
| CAS Number | 111394-11-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N |
Product Overview
SQ 31429 (CAS 111394-11-7), with molecular formula C68H112N22O13 and molecular weight 1444.88 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of SQ 31429
Property Insights of SQ 31429
The XLogP value of -3.6954 indicates that SQ 31429 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 620.06 Ų indicates high polarity, suggesting SQ 31429 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 31429 has 21 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 31429?
The CAS number of SQ 31429 is 111394-11-7.
What is the molecular formula of SQ 31429?
The molecular formula of SQ 31429 is C68H112N22O13.
What is the molecular weight of SQ 31429?
The molecular weight of SQ 31429 is 1444.88 g/mol.
Where can I buy SQ 31429?
You can request a quote for SQ 31429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 31429?
Yes, KEHONG BIO provides custom synthesis services for SQ 31429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.