12.13-Dibromopseurotin
TL;DR: 12.13-Dibromopseurotin (CAS 65086-97-7) is a chemical compound with molecular formula C22H25Br2NO8 and molecular weight 588.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Also Known As: 12.13-Dibromopseurotin, 12,13-DIBROMOPSEUROTIN A, KST-1A7134, (5s,8s,9r)-8-benzoyl-2-[(1s,2r,3s,4s)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 1-Oxa-7-azaspiro(4.4)non-2-ene-4,6-dione, 8-benzoyl-2-(3,4-dibromo-1,2-dihydroxyhexyl)-9-hydroxy-8-methoxy-3-methyl-, (5S-(2(1R*,2S*,3R*,4R*),5alpha,8beta,9beta))-
| Molecular Formula | C22H25Br2NO8 |
|---|---|
| Molecular Weight | 588.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.9947 |
| Heavy Atoms | 33 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 65086-97-7 |
|---|---|
| SMILES | CC[C@@H]([C@H]([C@@H]([C@@H](C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O)Br)Br |
| InChIKey | LDAAGGJQWQILET-AMOXFCCISA-N |
Product Overview
12.13-Dibromopseurotin (CAS 65086-97-7), with molecular formula C22H25Br2NO8 and molecular weight 588.99 g/mol. IUPAC: (5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione.
Chemical Property Profile of 12.13-Dibromopseurotin
Property Insights of 12.13-Dibromopseurotin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12.13-Dibromopseurotin. The TPSA of 142.0 Ų indicates high polarity, suggesting 12.13-Dibromopseurotin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12.13-Dibromopseurotin has 4 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 12.13-Dibromopseurotin?
The CAS number of 12.13-Dibromopseurotin is 65086-97-7.
What is the molecular formula of 12.13-Dibromopseurotin?
The molecular formula of 12.13-Dibromopseurotin is C22H25Br2NO8.
What is the molecular weight of 12.13-Dibromopseurotin?
The molecular weight of 12.13-Dibromopseurotin is 588.99 g/mol.
Where can I buy 12.13-Dibromopseurotin?
You can request a quote for 12.13-Dibromopseurotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12.13-Dibromopseurotin?
Yes, KEHONG BIO provides custom synthesis services for 12.13-Dibromopseurotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.