Trichodesmine
TL;DR: Trichodesmine (CAS 548-90-3) is a chemical compound with molecular formula C18H27NO6 and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Trichodesmine, 2-chloro-4-(4-chlorophenyl)phenol, [1,1'-Biphenyl]-4-ol,3,4'-dichloro, SID:405281146, (3R,4R,5R,8a1R,13aR)-4,5-dihydroxy-3-isopropyl-4,5-dimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
| Molecular Formula | C18H27NO6 |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.18384 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 548-90-3 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O |
| InChIKey | SOODLZHDDSGRKL-FOOXYVKASA-N |
Product Overview
Trichodesmine (CAS 548-90-3), with molecular formula C18H27NO6 and molecular weight 353.18 g/mol. IUPAC: (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Trichodesmine
Property Insights of Trichodesmine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichodesmine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichodesmine. Following Lipinski's Rule of Five, Trichodesmine has 2 hydrogen bond donor(s) and 7 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 Trichodesmine?
The CAS number of Trichodesmine is 548-90-3.
What is the molecular formula of Trichodesmine?
The molecular formula of Trichodesmine is C18H27NO6.
What is the molecular weight of Trichodesmine?
The molecular weight of Trichodesmine is 353.18 g/mol.
Where can I buy Trichodesmine?
You can request a quote for Trichodesmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichodesmine?
Yes, KEHONG BIO provides custom synthesis services for Trichodesmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.