4-Hydroxymethyl-4-demethylterritrem B
TL;DR: 4-Hydroxymethyl-4-demethylterritrem B (CAS 139122-92-2) is a chemical compound with molecular formula C29H34O10 and molecular weight 542.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6R,7S,10S)-1,7-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-14-(3,4,5-trimethoxyphenyl)-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione
Also Known As: 4-Hmdm-territrem B, Rdgb protein, 4-Hydroxymethyl-4-demethylterritrem B, 4beta-Hydroxymethyl-4beta-demethylterritrem B, 4a,5,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(3,4,5-trimethoxyphenyl)-4H,11H-naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(6H)-dione (4R-(4alpha,4abeta,6aalpha,12abeta,12balpha))-
| Molecular Formula | C29H34O10 |
|---|---|
| Molecular Weight | 542.22 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.2152 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 139122-92-2 |
|---|---|
| SMILES | C[C@]12CC[C@@]3([C@@](C=CC(=O)[C@]3([C@@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C(=C5)OC)OC)OC)O)C)(C)CO)O |
| InChIKey | PXIKKOJKOBCLTQ-ZCCUTQAASA-N |
Product Overview
4-Hydroxymethyl-4-demethylterritrem B (CAS 139122-92-2), with molecular formula C29H34O10 and molecular weight 542.22 g/mol. IUPAC: (1R,2R,6R,7S,10S)-1,7-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-14-(3,4,5-trimethoxyphenyl)-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione.
Chemical Property Profile of 4-Hydroxymethyl-4-demethylterritrem B
Property Insights of 4-Hydroxymethyl-4-demethylterritrem B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyl-4-demethylterritrem B. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-Hydroxymethyl-4-demethylterritrem B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxymethyl-4-demethylterritrem B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxymethyl-4-demethylterritrem B?
The CAS number of 4-Hydroxymethyl-4-demethylterritrem B is 139122-92-2.
What is the molecular formula of 4-Hydroxymethyl-4-demethylterritrem B?
The molecular formula of 4-Hydroxymethyl-4-demethylterritrem B is C29H34O10.
What is the molecular weight of 4-Hydroxymethyl-4-demethylterritrem B?
The molecular weight of 4-Hydroxymethyl-4-demethylterritrem B is 542.22 g/mol.
Where can I buy 4-Hydroxymethyl-4-demethylterritrem B?
You can request a quote for 4-Hydroxymethyl-4-demethylterritrem B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyl-4-demethylterritrem B?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyl-4-demethylterritrem B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.