14-Debromoaraplysillin I
TL;DR: 14-Debromoaraplysillin I (CAS 136685-29-5) is a chemical compound with molecular formula C21H24Br3N3O5 and molecular weight 634.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: 14-Debromoaraplysillin I, (10R)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide, (10R)-N-{3-[4-(2-Aminoethyl)-2-bromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, (6R)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide, 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-aminoethyl)-2-bromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-
| Molecular Formula | C21H24Br3N3O5 |
|---|---|
| Molecular Weight | 634.93 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 634.92664 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 136685-29-5 |
|---|---|
| SMILES | COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3)CCN)Br)C=C1Br)O)Br |
| InChIKey | NMQGCYQSHLBLKC-ZQRQZVKFSA-N |
Product Overview
14-Debromoaraplysillin I (CAS 136685-29-5), with molecular formula C21H24Br3N3O5 and molecular weight 634.93 g/mol. IUPAC: (6R)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of 14-Debromoaraplysillin I
Property Insights of 14-Debromoaraplysillin I
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Debromoaraplysillin I. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Debromoaraplysillin I. Following Lipinski's Rule of Five, 14-Debromoaraplysillin I has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Debromoaraplysillin I?
The CAS number of 14-Debromoaraplysillin I is 136685-29-5.
What is the molecular formula of 14-Debromoaraplysillin I?
The molecular formula of 14-Debromoaraplysillin I is C21H24Br3N3O5.
What is the molecular weight of 14-Debromoaraplysillin I?
The molecular weight of 14-Debromoaraplysillin I is 634.93 g/mol.
Where can I buy 14-Debromoaraplysillin I?
You can request a quote for 14-Debromoaraplysillin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Debromoaraplysillin I?
Yes, KEHONG BIO provides custom synthesis services for 14-Debromoaraplysillin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.