Resorcinomycin B
TL;DR: Resorcinomycin B (CAS 100234-78-4) is a chemical compound with molecular formula C13H18N4O5 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-2-(diaminomethylideneamino)-2-(4-ethyl-3,5-dihydroxyphenyl)acetyl]amino]acetic acid
Also Known As: Resorcinomycin B, N-(alpha-Guanidino-3,5-dihydroxy-4-ethylphenylacetyl)glycine, 2-[[(2S)-2-(diaminomethylideneamino)-2-(4-ethyl-3,5-dihydroxyphenyl)acetyl]amino]acetic acid, 1-(Bicyclo[2.2.1]hept-5-en-2-yl)-2-propen-1-on, Glycine, N-(N-(aminoiminomethyl)-L-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl)-
| Molecular Formula | C13H18N4O5 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.12772 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 100234-78-4 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1O)[C@@H](C(=O)NCC(=O)O)N=C(N)N)O |
| InChIKey | SYZOREHQSLMKDW-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Resorcinomycin B (CAS 100234-78-4), with molecular formula C13H18N4O5 and molecular weight 310.13 g/mol. IUPAC: 2-[[(2S)-2-(diaminomethylideneamino)-2-(4-ethyl-3,5-dihydroxyphenyl)acetyl]amino]acetic acid.
Chemical Property Profile of Resorcinomycin B
Property Insights of Resorcinomycin B
The XLogP value of -0.4 indicates that Resorcinomycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting Resorcinomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Resorcinomycin B has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Resorcinomycin B?
The CAS number of Resorcinomycin B is 100234-78-4.
What is the molecular formula of Resorcinomycin B?
The molecular formula of Resorcinomycin B is C13H18N4O5.
What is the molecular weight of Resorcinomycin B?
The molecular weight of Resorcinomycin B is 310.13 g/mol.
Where can I buy Resorcinomycin B?
You can request a quote for Resorcinomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Resorcinomycin B?
Yes, KEHONG BIO provides custom synthesis services for Resorcinomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.