Allomycin
TL;DR: Allomycin (CAS 187826-35-3) is a chemical compound with molecular formula C29H42N6O9 and molecular weight 618.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Also Known As: Allomycin, Sacromycin, Amicetin-A, AMICETIN, Allomycin (VAN)
| Molecular Formula | C29H42N6O9 |
|---|---|
| Molecular Weight | 618.30 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 618.30133 |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 187826-35-3 |
|---|---|
| SMILES | CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O)O |
| InChIKey | HDNVYHWHCVTDIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allomycin (CAS 187826-35-3), with molecular formula C29H42N6O9 and molecular weight 618.30 g/mol. IUPAC: 4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
Chemical Property Profile of Allomycin
Property Insights of Allomycin
The XLogP value of -1.0 indicates that Allomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Allomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allomycin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allomycin?
The CAS number of Allomycin is 187826-35-3.
What is the molecular formula of Allomycin?
The molecular formula of Allomycin is C29H42N6O9.
What is the molecular weight of Allomycin?
The molecular weight of Allomycin is 618.30 g/mol.
Where can I buy Allomycin?
You can request a quote for Allomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allomycin?
Yes, KEHONG BIO provides custom synthesis services for Allomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.