MDL 29204
TL;DR: MDL 29204 (CAS 121104-87-8) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-methylbenzoate
Also Known As: MDL 29204, Castanospermine, 6-O- deriv, MDL 29,204, Castanospermine, 6-O-(4-methylbenzoyl)-, Benzoic acid, 4-methyl-, (1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 121104-87-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)O[C@H]2CN3CC[C@@H]([C@@H]3[C@H]([C@@H]2O)O)O |
| InChIKey | DXFKQYFXMFFYQE-VQJWOFKYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MDL 29204 (CAS 121104-87-8), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 4-methylbenzoate.
Chemical Property Profile of MDL 29204
Property Insights of MDL 29204
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MDL 29204. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for MDL 29204. Following Lipinski's Rule of Five, MDL 29204 has 3 hydrogen bond donor(s) and 6 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 MDL 29204?
The CAS number of MDL 29204 is 121104-87-8.
What is the molecular formula of MDL 29204?
The molecular formula of MDL 29204 is C16H21NO5.
What is the molecular weight of MDL 29204?
The molecular weight of MDL 29204 is 307.14 g/mol.
Where can I buy MDL 29204?
You can request a quote for MDL 29204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDL 29204?
Yes, KEHONG BIO provides custom synthesis services for MDL 29204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.