4-Bromo-A-23187
TL;DR: 4-Bromo-A-23187 (CAS 76455-48-6) is a chemical compound with molecular formula C29H36BrN3O6 and molecular weight 601.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-5-(methylamino)-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
Also Known As: 4-Bromo-A-23187, 4-Bra23187, 4-Bromo-A23187, 4-Br-A23187, SID:53786829
| Molecular Formula | C29H36BrN3O6 |
|---|---|
| Molecular Weight | 601.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 601.1788 |
| Heavy Atoms | 39 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 76455-48-6 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(C(=C(C=C5O4)Br)NC)C(=O)O |
| InChIKey | LDXQFZZGVTWFCF-DWUXPROESA-N |
Product Overview
4-Bromo-A-23187 (CAS 76455-48-6), with molecular formula C29H36BrN3O6 and molecular weight 601.18 g/mol. IUPAC: 6-bromo-5-(methylamino)-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid.
Chemical Property Profile of 4-Bromo-A-23187
Property Insights of 4-Bromo-A-23187
The XLogP value of 6.6 indicates that 4-Bromo-A-23187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-A-23187. Following Lipinski's Rule of Five, 4-Bromo-A-23187 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-A-23187?
The CAS number of 4-Bromo-A-23187 is 76455-48-6.
What is the molecular formula of 4-Bromo-A-23187?
The molecular formula of 4-Bromo-A-23187 is C29H36BrN3O6.
What is the molecular weight of 4-Bromo-A-23187?
The molecular weight of 4-Bromo-A-23187 is 601.18 g/mol.
Where can I buy 4-Bromo-A-23187?
You can request a quote for 4-Bromo-A-23187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-A-23187?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-A-23187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.