14-Debromoprearaplysillin I
TL;DR: 14-Debromoprearaplysillin I (CAS 136685-30-8) is a chemical compound with molecular formula C21H24Br3N3O4 and molecular weight 618.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide
Also Known As: 14-Debromoprearaplysillin I, (2E)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide, (2E)-N-(3-(4-(2-aminoethyl)-2-bromophenoxy)propyl)-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide, RefChem:78610
| Molecular Formula | C21H24Br3N3O4 |
|---|---|
| Molecular Weight | 618.93 g/mol |
| LogP | 4.4419 |
| Topological Polar Surface Area | 106.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 618.9317 |
| Heavy Atoms | 31 |
| Complexity | 915.07623 |
Chemical Identifiers
| CAS Number | 136685-30-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)C/C(=N\O)/C(=O)NCCCOC2=C(C=C(C=C2)CCN)Br)Br |
Product Overview
14-Debromoprearaplysillin I (CAS 136685-30-8), with molecular formula C21H24Br3N3O4 and molecular weight 618.93 g/mol. IUPAC: (2E)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide.
Chemical Property Profile of 14-Debromoprearaplysillin I
Property Insights of 14-Debromoprearaplysillin I
The XLogP value of 4.4419 indicates that 14-Debromoprearaplysillin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Debromoprearaplysillin I. Following Lipinski's Rule of Five, 14-Debromoprearaplysillin I has 3 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 14-Debromoprearaplysillin I?
The CAS number of 14-Debromoprearaplysillin I is 136685-30-8.
What is the molecular formula of 14-Debromoprearaplysillin I?
The molecular formula of 14-Debromoprearaplysillin I is C21H24Br3N3O4.
What is the molecular weight of 14-Debromoprearaplysillin I?
The molecular weight of 14-Debromoprearaplysillin I is 618.93 g/mol.
Where can I buy 14-Debromoprearaplysillin I?
You can request a quote for 14-Debromoprearaplysillin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Debromoprearaplysillin I?
Yes, KEHONG BIO provides custom synthesis services for 14-Debromoprearaplysillin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.