除蟑草碱
TL;DR: 除蟑草碱 (CAS 16625-20-0) is a chemical compound with molecular formula C37H40N4O7 and molecular weight 652.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
除蟑草碱
(1S,12R)-12-[(1S,4R,12R,16S)-7,8-dimethoxy-5-methyl-18-oxo-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-9-yl]-7-hydroxy-15-methyl-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione
Also Known As: Haplophytine, (+)-Haplophytine, Haplophytine [MI], Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-((3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo(1,2-a)(1,3)benzodiazocin-7(4H)-yl)-, gamma-lactone, (1S,12R)-12-[(1S,4R,12R,16S)-7,8-dimethoxy-5-methyl-18-oxo-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-9-yl]-7-hydroxy-15-methyl-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione
| Molecular Formula | C37H40N4O7 |
|---|---|
| Molecular Weight | 652.29 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 652.2897 |
| Heavy Atoms | 48 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 16625-20-0 |
|---|---|
| SMILES | CN1CC[C@@]2(C3=C(C(=CC=C3)O)N4[C@]1(C2=O)CCC4=O)C5=C(C(=C6C(=C5)[C@@]78CCN9[C@]71[C@@](CCC9)(CC(=O)O1)C=C[C@H]8N6C)OC)OC |
| InChIKey | SFSFAWRKKRGBKI-ZLEWMSNTSA-N |
Product Overview
除蟑草碱 (CAS 16625-20-0), with molecular formula C37H40N4O7 and molecular weight 652.29 g/mol. IUPAC: (1S,12R)-12-[(1S,4R,12R,16S)-7,8-dimethoxy-5-methyl-18-oxo-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-9-yl]-7-hydroxy-15-methyl-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione.
Chemical Property Profile of 除蟑草碱
Property Insights of 除蟑草碱
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 除蟑草碱. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 除蟑草碱. Following Lipinski's Rule of Five, 除蟑草碱 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 除蟑草碱?
The CAS number of 除蟑草碱 is 16625-20-0.
What is the molecular formula of 除蟑草碱?
The molecular formula of 除蟑草碱 is C37H40N4O7.
What is the molecular weight of 除蟑草碱?
The molecular weight of 除蟑草碱 is 652.29 g/mol.
Where can I buy 除蟑草碱?
You can request a quote for 除蟑草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 除蟑草碱?
Yes, KEHONG BIO provides custom synthesis services for 除蟑草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.