(4,4'-Diaminopropionic acid)gramicidin S
TL;DR: (4,4'-Diaminopropionic acid)gramicidin S (CAS 87644-24-4) is a chemical compound with molecular formula C14H15N5O7S and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Also Known As: (4,4'-Diaminopropionic acid)gramicidin S, Benzoic acid, 2-(((((4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester, Methyl 2-({[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate, methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
| Molecular Formula | C14H15N5O7S |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0692 |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 87644-24-4 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)CO |
| InChIKey | CEGMTTZMOHSBKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4,4'-Diaminopropionic acid)gramicidin S (CAS 87644-24-4), with molecular formula C14H15N5O7S and molecular weight 397.07 g/mol. IUPAC: methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate.
Chemical Property Profile of (4,4'-Diaminopropionic acid)gramicidin S
Property Insights of (4,4'-Diaminopropionic acid)gramicidin S
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4'-Diaminopropionic acid)gramicidin S. The TPSA of 178.0 Ų indicates high polarity, suggesting (4,4'-Diaminopropionic acid)gramicidin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,4'-Diaminopropionic acid)gramicidin S has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4,4'-Diaminopropionic acid)gramicidin S?
The CAS number of (4,4'-Diaminopropionic acid)gramicidin S is 87644-24-4.
What is the molecular formula of (4,4'-Diaminopropionic acid)gramicidin S?
The molecular formula of (4,4'-Diaminopropionic acid)gramicidin S is C14H15N5O7S.
What is the molecular weight of (4,4'-Diaminopropionic acid)gramicidin S?
The molecular weight of (4,4'-Diaminopropionic acid)gramicidin S is 397.07 g/mol.
Where can I buy (4,4'-Diaminopropionic acid)gramicidin S?
You can request a quote for (4,4'-Diaminopropionic acid)gramicidin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4'-Diaminopropionic acid)gramicidin S?
Yes, KEHONG BIO provides custom synthesis services for (4,4'-Diaminopropionic acid)gramicidin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.