deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH
TL;DR: deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH (CAS 34098-41-4) is a chemical compound with molecular formula C48H67N13O11 and molecular weight 1001.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-amino-4-oxobutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
Also Known As: Arfalasin, n2-(4-amino-4-oxobutanoyl)-n5-(diaminomethylidene)-l-ornithyl-l-valyl-l-tyrosyl-l-valyl-l-histidyl-n-[(s)-carboxy(phenyl)methyl]prolinamide, (2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-amino-4-oxobutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
| Molecular Formula | C48H67N13O11 |
|---|---|
| Molecular Weight | 1001.51 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 1001.5083 |
| Heavy Atoms | 72 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 34098-41-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCCC3C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCC(=O)N |
| InChIKey | IBGNPQRJAXAGJH-BNZRSSFDSA-N |
Product Overview
deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH (CAS 34098-41-4), with molecular formula C48H67N13O11 and molecular weight 1001.51 g/mol. IUPAC: (2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-amino-4-oxobutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-phenylacetic acid.
Chemical Property Profile of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH
Property Insights of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH. The TPSA of 389.0 Ų indicates high polarity, suggesting deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH?
The CAS number of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH is 34098-41-4.
What is the molecular formula of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH?
The molecular formula of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH is C48H67N13O11.
What is the molecular weight of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH?
The molecular weight of deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH is 1001.51 g/mol.
Where can I buy deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH?
You can request a quote for deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH?
Yes, KEHONG BIO provides custom synthesis services for deamino-Asn-Arg-Val-Tyr-Val-His-DL-Pro-Phg-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.