Cymobarbatol
TL;DR: Cymobarbatol (CAS 124962-11-4) is a chemical compound with molecular formula C16H20Br2O2 and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
Also Known As: Cymobarbatol, 4-Isocymobarbatol, (7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol, (2S,4aR,9aS)-2,6-dibromo-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol, 1H-Xanthen-7-ol, 2,6-dibromo-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2S-(2alpha,4abeta,9abeta))-
| Molecular Formula | C16H20Br2O2 |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 401.983 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 124962-11-4 |
|---|---|
| SMILES | C[C@@]12CC[C@@H](C([C@@H]1CC3=CC(=C(C=C3O2)Br)O)(C)C)Br |
| InChIKey | ALTFOIOEOXFNOO-OFQRWUPVSA-N |
Product Overview
Cymobarbatol (CAS 124962-11-4), with molecular formula C16H20Br2O2 and molecular weight 401.98 g/mol. IUPAC: (7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol.
Chemical Property Profile of Cymobarbatol
Property Insights of Cymobarbatol
The XLogP value of 5.3 indicates that Cymobarbatol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Cymobarbatol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cymobarbatol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cymobarbatol?
The CAS number of Cymobarbatol is 124962-11-4.
What is the molecular formula of Cymobarbatol?
The molecular formula of Cymobarbatol is C16H20Br2O2.
What is the molecular weight of Cymobarbatol?
The molecular weight of Cymobarbatol is 401.98 g/mol.
Where can I buy Cymobarbatol?
You can request a quote for Cymobarbatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cymobarbatol?
Yes, KEHONG BIO provides custom synthesis services for Cymobarbatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.