methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate
TL;DR: methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate (CAS 3438-77-5) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate
Also Known As: methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate, 1-[ethyl(methoxy)phosphoryl]oxy-4-methylsulfonylbenzene, methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate, Phenanthro[1, tetradecahydro-1b,9-dihydroxy-4,7a-dimethyl-9a-(1-methylethyl)-, methyl ester, [1aR-(1a.alpha.,1b.beta.,3a.beta.,4.beta.,7a.alpha.,7b.beta.,9.beta.,9a.alpha.)]-
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 3438-77-5 |
|---|---|
| SMILES | CC(C)C12C(CC3C4(CCCC(C4CCC3(C1O2)O)(C)C(=O)OC)C)O |
| InChIKey | ZUPJCGMTNBLNGX-UHFFFAOYSA-N |
Product Overview
methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate (CAS 3438-77-5), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate.
Chemical Property Profile of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate
Property Insights of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate. Following Lipinski's Rule of Five, methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate 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 methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate?
The CAS number of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate is 3438-77-5.
What is the molecular formula of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate?
The molecular formula of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate is C21H34O5.
What is the molecular weight of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate?
The molecular weight of methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate is 366.24 g/mol.
Where can I buy methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate?
You can request a quote for methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate?
Yes, KEHONG BIO provides custom synthesis services for methyl 8,12-dihydroxy-13,14-epoxyabietan-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.