Adotc cpd
TL;DR: Adotc cpd (CAS 6542-44-5) is a chemical compound with molecular formula C23H25NO8 and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
Also Known As: Adotc cpd, Lymecycline EP Impurity B, Tetracycline EP Impurity B, 2-Acetyl-2-decarboxamidooxytetracycline, C23N25NO8
| Molecular Formula | C23H25NO8 |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 0.7327 |
| Topological Polar Surface Area | 155.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.15802 |
| Heavy Atoms | 32 |
| Complexity | 1144.6505 |
Chemical Identifiers
| CAS Number | 6542-44-5 |
|---|---|
| SMILES | CC(=O)C1=C([C@@]2([C@@H](C[C@H]3C(=C(C4=C([C@@]3(C)O)C=CC=C4O)O)C2=O)[C@@H](C1=O)N(C)C)O)O |
Product Overview
Adotc cpd (CAS 6542-44-5), with molecular formula C23H25NO8 and molecular weight 443.16 g/mol. IUPAC: (1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione.
Chemical Property Profile of Adotc cpd
Property Insights of Adotc cpd
The XLogP value of 0.7327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adotc cpd. The TPSA of 155.6 Ų indicates high polarity, suggesting Adotc cpd may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adotc cpd has 5 hydrogen bond donor(s) and 9 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 Adotc cpd?
The CAS number of Adotc cpd is 6542-44-5.
What is the molecular formula of Adotc cpd?
The molecular formula of Adotc cpd is C23H25NO8.
What is the molecular weight of Adotc cpd?
The molecular weight of Adotc cpd is 443.16 g/mol.
Where can I buy Adotc cpd?
You can request a quote for Adotc cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adotc cpd?
Yes, KEHONG BIO provides custom synthesis services for Adotc cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.