Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
TL;DR: Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- (CAS 47477-04-3) is a chemical compound with molecular formula C20H23NO5 and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one
Also Known As: Deacetylisocolchicine, N-Deacetylisocolchicine, Isocolchicine, N-deacetyl-, Isocolchicine analog, Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
| Molecular Formula | C20H23NO5 |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.15762 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 47477-04-3 |
|---|---|
| SMILES | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC[C@@H]2N)OC)OC)OC |
| InChIKey | NLJVJPAFJAGEPD-AWEZNQCLSA-N |
Product Overview
Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- (CAS 47477-04-3), with molecular formula C20H23NO5 and molecular weight 357.16 g/mol. IUPAC: (7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one.
Chemical Property Profile of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
Property Insights of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-. Following Lipinski's Rule of Five, Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- has 1 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 Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-?
The CAS number of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- is 47477-04-3.
What is the molecular formula of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-?
The molecular formula of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- is C20H23NO5.
What is the molecular weight of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-?
The molecular weight of Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- is 357.16 g/mol.
Where can I buy Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-?
You can request a quote for Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.