Isocolchicine analog
TL;DR: Isocolchicine analog (CAS 134595-69-0) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-9-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one
Also Known As: Isocolchicine analog, 9-Dimethylamino-N-deacetyl-9-demethoxyisocolchicine, Benzo(a)heptalen-10(5H)-one, 7-amino-9-(dimethylamino)-6,7-dihydro-1,2,3-trimethoxy-, (S)-, (7S)-7-amino-9-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one, (7S)-7-Amino-9-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 134595-69-0 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC[C@@H]2N)OC)OC)OC |
| InChIKey | RUQXXMUWOBJEQX-HNNXBMFYSA-N |
Product Overview
Isocolchicine analog (CAS 134595-69-0), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: (7S)-7-amino-9-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one.
Chemical Property Profile of Isocolchicine analog
Property Insights of Isocolchicine analog
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocolchicine analog. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocolchicine analog. Following Lipinski's Rule of Five, Isocolchicine analog 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 Isocolchicine analog?
The CAS number of Isocolchicine analog is 134595-69-0.
What is the molecular formula of Isocolchicine analog?
The molecular formula of Isocolchicine analog is C21H26N2O4.
What is the molecular weight of Isocolchicine analog?
The molecular weight of Isocolchicine analog is 370.19 g/mol.
Where can I buy Isocolchicine analog?
You can request a quote for Isocolchicine analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocolchicine analog?
Yes, KEHONG BIO provides custom synthesis services for Isocolchicine analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.