常山梨碱
TL;DR: 常山梨碱 (CAS 427-01-0) is a chemical compound with molecular formula C40H48N4O3 and molecular weight 632.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
常山梨碱
methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl]acetate
Also Known As: Geissospermine, (-)-Geissospermine, 4-27-00-09620 (Beilstein Handbook Reference), methyl (2R)-[(3aR,9S,11aS,11bS,12S,13aS,14S)-14-ethyl-2,3,11a,12,13,13a-hexahydro-11H,11bH-1,12-ethano[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazol-9-yl][(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate, methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl]acetate
| Molecular Formula | C40H48N4O3 |
|---|---|
| Molecular Weight | 632.37 g/mol |
| LogP | 6.0556 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 632.3726 |
| Heavy Atoms | 47 |
| Complexity | 1781.5604 |
Chemical Identifiers
| CAS Number | 427-01-0 |
|---|---|
| SMILES | CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]\6C[C@H]7C8=C(CCN7C/C6=C/C)C9=CC=CC=C9N8)C(=O)OC)C1=CC=CC=C41 |
Product Overview
常山梨碱 (CAS 427-01-0), with molecular formula C40H48N4O3 and molecular weight 632.37 g/mol. IUPAC: methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl]acetate.
Chemical Property Profile of 常山梨碱
Property Insights of 常山梨碱
The XLogP value of 6.0556 indicates that 常山梨碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 常山梨碱. Following Lipinski's Rule of Five, 常山梨碱 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 常山梨碱?
The CAS number of 常山梨碱 is 427-01-0.
What is the molecular formula of 常山梨碱?
The molecular formula of 常山梨碱 is C40H48N4O3.
What is the molecular weight of 常山梨碱?
The molecular weight of 常山梨碱 is 632.37 g/mol.
Where can I buy 常山梨碱?
You can request a quote for 常山梨碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 常山梨碱?
Yes, KEHONG BIO provides custom synthesis services for 常山梨碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.