Dihydrocalanolide A
TL;DR: Dihydrocalanolide A (CAS 183904-53-2) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one
Also Known As: (+)-Dihydrocalanolide A, Dihydrocalanolide A, Dihydrocostatolide, DHCal A, (+)dihydrocalanolide a
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 183904-53-2 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O |
| InChIKey | YPUTYHJWWMYIGF-FMTVUPSXSA-N |
Product Overview
Dihydrocalanolide A (CAS 183904-53-2), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: (16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one.
Chemical Property Profile of Dihydrocalanolide A
Property Insights of Dihydrocalanolide A
The XLogP value of 3.9 indicates that Dihydrocalanolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrocalanolide A. Following Lipinski's Rule of Five, Dihydrocalanolide A has 1 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 Dihydrocalanolide A?
The CAS number of Dihydrocalanolide A is 183904-53-2.
What is the molecular formula of Dihydrocalanolide A?
The molecular formula of Dihydrocalanolide A is C22H28O5.
What is the molecular weight of Dihydrocalanolide A?
The molecular weight of Dihydrocalanolide A is 372.19 g/mol.
Where can I buy Dihydrocalanolide A?
You can request a quote for Dihydrocalanolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrocalanolide A?
Yes, KEHONG BIO provides custom synthesis services for Dihydrocalanolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.