脱水脱溴海兔毒素
TL;DR: 脱水脱溴海兔毒素 (CAS 63543-22-6) is a chemical compound with molecular formula C32H46O9 and molecular weight 574.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱水脱溴海兔毒素
9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-13-ene-7,11-dione
Also Known As: Anhydrodebromoaplysiatoxin, Debromoaplysiatoxin, Aplysiatoxin, 17-debromo-3,4-didehydro-3-deoxy-, 9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-13-ene-7,11-dione(non-preferred name), 9-(1-hydroxyethyl)-3-(5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo(11.3.1.11,5)octadec-13-ene-7,11-dione
| Molecular Formula | C32H46O9 |
|---|---|
| Molecular Weight | 574.31 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.3142 |
| Heavy Atoms | 41 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 63543-22-6 |
|---|---|
| SMILES | CC1C2CC3(C(CC(=C(O3)CC(=O)OC(CC(=O)O2)C(C)O)C)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC |
| InChIKey | HCEQACRMJXGKHI-UHFFFAOYSA-N |
Product Overview
脱水脱溴海兔毒素 (CAS 63543-22-6), with molecular formula C32H46O9 and molecular weight 574.31 g/mol. IUPAC: 9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-13-ene-7,11-dione.
Chemical Property Profile of 脱水脱溴海兔毒素
Property Insights of 脱水脱溴海兔毒素
The XLogP value of 4.5 indicates that 脱水脱溴海兔毒素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 脱水脱溴海兔毒素. Following Lipinski's Rule of Five, 脱水脱溴海兔毒素 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 脱水脱溴海兔毒素?
The CAS number of 脱水脱溴海兔毒素 is 63543-22-6.
What is the molecular formula of 脱水脱溴海兔毒素?
The molecular formula of 脱水脱溴海兔毒素 is C32H46O9.
What is the molecular weight of 脱水脱溴海兔毒素?
The molecular weight of 脱水脱溴海兔毒素 is 574.31 g/mol.
Where can I buy 脱水脱溴海兔毒素?
You can request a quote for 脱水脱溴海兔毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱水脱溴海兔毒素?
Yes, KEHONG BIO provides custom synthesis services for 脱水脱溴海兔毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.