D0II5S
TL;DR: D0II5S (CAS 155158-97-7) is a chemical compound with molecular formula C25H38N8O10S and molecular weight 642.24316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,11S,14R)-11-[3-(diaminomethylideneamino)propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5-carboxylic acid;methanesulfonic acid
Also Known As: DMP 728, DMP728, XL 118, Cyclic(D-2-aminobutyryl-N(2)-methyl-L-arginylglycyl-L-aspartyl-3-(aminomethyl)benzoic acid), (5R,11S,14R)-11-[3-(Carbamimidoylamino)propyl]-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)
Technical Specifications
| Molecular Formula | C25H38N8O10S |
| Molecular Weight | 642.24316 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 301.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 642.24316 Da |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
| SMILES | CC[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC(=CC=C2)C(=O)N1)C(=O)O)CCCN=C(N)N)C.CS(=O)(=O)O |
| InChIKey | KKUJFDFDEDIZOU-PNQHFFRLSA-N |
Chemical Property Profile of D0II5S
Property Insights of D0II5S
The XLogP value of -3.1 indicates that D0II5S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting D0II5S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D0II5S has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of D0II5S?
The CAS number of D0II5S is 155158-97-7.
What is the molecular formula of D0II5S?
The molecular formula of D0II5S is C25H38N8O10S.
What is the molecular weight of D0II5S?
The molecular weight of D0II5S is 642.24316 g/mol.
Where can I buy D0II5S?
You can request a quote for D0II5S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for D0II5S?
Yes, CoreyChem provides custom synthesis services for D0II5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.