Mhf7LQ42PV
TL;DR: Mhf7LQ42PV (CAS 451455-54-2) is a chemical compound with molecular formula C28H32N6O4S and molecular weight 548.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide
Also Known As: LB-30812 free base, J1.691.949G, (2S)-N-((4-Carbamimidoylphenyl)methyl)-1-((2R)-3,3-diphenyl-2-(sulfamoylamino)propanoyl)pyrrolidine-2-carboxamide, N-(Aminosulfonyl)-3,3-diphenyl-D-Ala-L-Pro-(4-amidinobenzyl)NH2, L-Prolinamide, N-(aminosulfonyl)-beta-phenyl-D-phenylalanyl-N-((4-(aminoiminomethyl)phenyl)methyl)-
| Molecular Formula | C28H32N6O4S |
|---|---|
| Molecular Weight | 548.22 g/mol |
| LogP | 1.57167 |
| Topological Polar Surface Area | 171.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.2206 |
| Heavy Atoms | 39 |
| Complexity | 1375.927 |
Chemical Identifiers
| CAS Number | 451455-54-2 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)N)C(=O)NCC4=CC=C(C=C4)C(=N)N |
Product Overview
Mhf7LQ42PV (CAS 451455-54-2), with molecular formula C28H32N6O4S and molecular weight 548.22 g/mol. IUPAC: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Mhf7LQ42PV
Property Insights of Mhf7LQ42PV
The XLogP value of 1.57167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mhf7LQ42PV. The TPSA of 171.47 Ų indicates high polarity, suggesting Mhf7LQ42PV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mhf7LQ42PV has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mhf7LQ42PV?
The CAS number of Mhf7LQ42PV is 451455-54-2.
What is the molecular formula of Mhf7LQ42PV?
The molecular formula of Mhf7LQ42PV is C28H32N6O4S.
What is the molecular weight of Mhf7LQ42PV?
The molecular weight of Mhf7LQ42PV is 548.22 g/mol.
Where can I buy Mhf7LQ42PV?
You can request a quote for Mhf7LQ42PV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mhf7LQ42PV?
Yes, KEHONG BIO provides custom synthesis services for Mhf7LQ42PV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.