![cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] structure](/static/products/837/83785-07-3.png)
cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]
TL;DR: cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] (CAS 83785-07-3) is a chemical compound with molecular formula C48H74N12O14 and molecular weight 1042.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Also Known As: Iturin D, Iturin A 2 8
| Molecular Formula | C48H74N12O14 |
|---|---|
| Molecular Weight | 1042.54 g/mol |
| LogP | -3.4721 |
| Topological Polar Surface Area | 436.83 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 1042.5448 |
| Heavy Atoms | 74 |
| Complexity | 2160.7107 |
Chemical Identifiers
| CAS Number | 83785-07-3 |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
Product Overview
cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] (CAS 83785-07-3), with molecular formula C48H74N12O14 and molecular weight 1042.54 g/mol. IUPAC: 3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide.
Chemical Property Profile of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]
Property Insights of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]
The XLogP value of -3.4721 indicates that cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 436.83 Ų indicates high polarity, suggesting cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] has 13 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 cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]?
The CAS number of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] is 83785-07-3.
What is the molecular formula of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]?
The molecular formula of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] is C48H74N12O14.
What is the molecular weight of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]?
The molecular weight of cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] is 1042.54 g/mol.
Where can I buy cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]?
You can request a quote for cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]?
Yes, KEHONG BIO provides custom synthesis services for cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.