3beta-Methoxy-2,3-dihydrowithaferin A
TL;DR: 3beta-Methoxy-2,3-dihydrowithaferin A (CAS 21902-96-5) is a chemical compound with molecular formula C29H42O7 and molecular weight 502.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Also Known As: Quresimin A, 2,3-Dihydro-3-methoxywithaferin A, 3beta-Methoxy-2,3-dihydrowithaferin A, DIHYDROWITHAFERIN-A,3-, 3-Methoxy-2,3-dihydrowithaferin-A
| Molecular Formula | C29H42O7 |
|---|---|
| Molecular Weight | 502.29 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.29306 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 21902-96-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CC(C6O)OC)C)O5)C)CO |
| InChIKey | MKTMIPAPOLDOQT-UHFFFAOYSA-N |
Product Overview
3beta-Methoxy-2,3-dihydrowithaferin A (CAS 21902-96-5), with molecular formula C29H42O7 and molecular weight 502.29 g/mol. IUPAC: 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one.
Chemical Property Profile of 3beta-Methoxy-2,3-dihydrowithaferin A
Property Insights of 3beta-Methoxy-2,3-dihydrowithaferin A
The XLogP value of 3.4 indicates that 3beta-Methoxy-2,3-dihydrowithaferin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta-Methoxy-2,3-dihydrowithaferin A. Following Lipinski's Rule of Five, 3beta-Methoxy-2,3-dihydrowithaferin A has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Methoxy-2,3-dihydrowithaferin A?
The CAS number of 3beta-Methoxy-2,3-dihydrowithaferin A is 21902-96-5.
What is the molecular formula of 3beta-Methoxy-2,3-dihydrowithaferin A?
The molecular formula of 3beta-Methoxy-2,3-dihydrowithaferin A is C29H42O7.
What is the molecular weight of 3beta-Methoxy-2,3-dihydrowithaferin A?
The molecular weight of 3beta-Methoxy-2,3-dihydrowithaferin A is 502.29 g/mol.
Where can I buy 3beta-Methoxy-2,3-dihydrowithaferin A?
You can request a quote for 3beta-Methoxy-2,3-dihydrowithaferin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Methoxy-2,3-dihydrowithaferin A?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Methoxy-2,3-dihydrowithaferin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.