KST-1A3853
TL;DR: KST-1A3853 (CAS 32998-00-8) is a chemical compound with molecular formula C27H27NO5 and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-(benzylideneamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one
Also Known As: KST-1A3853, (7s)-1,2,3,9-tetramethoxy-7-{[(e)-phenylmethylidene]amino}-6,7-dihydrobenzo[a]heptalen-10(5h)-one, (7S)-7-(benzylideneamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5, (7S)-7-(benzylideneamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one, (7S)-7-[(E)-Benzylideneamino]-1,2,3,9-tetramethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one
| Molecular Formula | C27H27NO5 |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.18893 |
| Heavy Atoms | 33 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 32998-00-8 |
|---|---|
| SMILES | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC[C@@H]2N=CC4=CC=CC=C4)OC)OC)OC |
| InChIKey | VUPHUKPWNIKTNI-NRFANRHFSA-N |
Product Overview
KST-1A3853 (CAS 32998-00-8), with molecular formula C27H27NO5 and molecular weight 445.19 g/mol. IUPAC: (7S)-7-(benzylideneamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one.
Chemical Property Profile of KST-1A3853
Property Insights of KST-1A3853
The XLogP value of 3.1 indicates that KST-1A3853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A3853. Following Lipinski's Rule of Five, KST-1A3853 has 0 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 KST-1A3853?
The CAS number of KST-1A3853 is 32998-00-8.
What is the molecular formula of KST-1A3853?
The molecular formula of KST-1A3853 is C27H27NO5.
What is the molecular weight of KST-1A3853?
The molecular weight of KST-1A3853 is 445.19 g/mol.
Where can I buy KST-1A3853?
You can request a quote for KST-1A3853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3853?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.