S 2160
TL;DR: S 2160 (CAS 39271-61-9) is a chemical compound with molecular formula C33H40N8O6 and molecular weight 644.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Also Known As: Bzphevalargnan, Benzoyl-fvr-pna, Bz-Phe-Val-Arg-pNA.HCl, Bz-Phe-val-arg-paranitroanilide, Bz-Phe-Val-Arg-pNA . HCl
| Molecular Formula | C33H40N8O6 |
|---|---|
| Molecular Weight | 644.31 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 644.30707 |
| Heavy Atoms | 47 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 39271-61-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
| InChIKey | IQFRQVCWHMZHOA-KCHLEUMXSA-N |
Product Overview
S 2160 (CAS 39271-61-9), with molecular formula C33H40N8O6 and molecular weight 644.31 g/mol. IUPAC: N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
Chemical Property Profile of S 2160
Property Insights of S 2160
The XLogP value of 3.8 indicates that S 2160 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.0 Ų indicates high polarity, suggesting S 2160 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S 2160 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S 2160?
The CAS number of S 2160 is 39271-61-9.
What is the molecular formula of S 2160?
The molecular formula of S 2160 is C33H40N8O6.
What is the molecular weight of S 2160?
The molecular weight of S 2160 is 644.31 g/mol.
Where can I buy S 2160?
You can request a quote for S 2160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 2160?
Yes, KEHONG BIO provides custom synthesis services for S 2160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.