(3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden
TL;DR: (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden (CAS 16989-99-4) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bR,6aS,10aS,10bS,12aS)-3,9-bis(hydroxymethylidene)-10a,12a-dimethyl-4a,4b,5,6,6a,7,10,10b,11,12-decahydro-4H-naphtho[2,1-f]chromene-2,8-dione
Also Known As: (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 16989-99-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=CO)C(=O)O2)CC[C@@H]4[C@@]3(CC(=CO)C(=O)C4)C |
| InChIKey | GVQAFQYHTSGAPN-FMZZOXHWSA-N |
Product Overview
(3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden (CAS 16989-99-4), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (4aS,4bR,6aS,10aS,10bS,12aS)-3,9-bis(hydroxymethylidene)-10a,12a-dimethyl-4a,4b,5,6,6a,7,10,10b,11,12-decahydro-4H-naphtho[2,1-f]chromene-2,8-dione.
Chemical Property Profile of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden
Property Insights of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden
The XLogP value of 4.1 indicates that (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden. Following Lipinski's Rule of Five, (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden?
The CAS number of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden is 16989-99-4.
What is the molecular formula of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden?
The molecular formula of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden is C21H28O5.
What is the molecular weight of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden?
The molecular weight of (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden is 360.19 g/mol.
Where can I buy (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden?
You can request a quote for (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden?
Yes, KEHONG BIO provides custom synthesis services for (3Z,4aS,4bR,6aS,9Z,10aS,10bS,12aS)-3,9-bis(hydroxymethyliden and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.