Valtrate
TL;DR: Valtrate (CAS 18296-44-1) is a chemical compound with molecular formula C22H30O8 and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Also Known As: Valtrate, Valepotriate, Valtratum, Halazuchrome B, Baldrisedon
| Molecular Formula | C22H30O8 |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.19406 |
| Heavy Atoms | 30 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 18296-44-1 |
|---|---|
| SMILES | CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C |
| InChIKey | BDIAUFOIMFAIPU-KVJIRVJXSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valtrate (CAS 18296-44-1), with molecular formula C22H30O8 and molecular weight 422.19 g/mol. IUPAC: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate.
Chemical Property Profile of Valtrate
Property Insights of Valtrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valtrate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Valtrate. Following Lipinski's Rule of Five, Valtrate has 0 hydrogen bond donor(s) and 8 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 Valtrate?
The CAS number of Valtrate is 18296-44-1.
What is the molecular formula of Valtrate?
The molecular formula of Valtrate is C22H30O8.
What is the molecular weight of Valtrate?
The molecular weight of Valtrate is 422.19 g/mol.
Where can I buy Valtrate?
You can request a quote for Valtrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valtrate?
Yes, KEHONG BIO provides custom synthesis services for Valtrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.