紫花前胡苷
TL;DR: 紫花前胡苷 (CAS 495-31-8) is a chemical compound with molecular formula C20H24O9 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫花前胡苷
(2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Also Known As: Nodakenin, (+)-Marmesinin, marmesinsin, Marmesinin, Macranthoidin B
| Molecular Formula | C20H24O9 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.14203 |
| Heavy Atoms | 29 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 495-31-8 |
|---|---|
| SMILES | CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | HXCGUCZXPFBNRD-DNLMCPORSA-N |
Product Overview
紫花前胡苷 (CAS 495-31-8), with molecular formula C20H24O9 and molecular weight 408.14 g/mol. IUPAC: (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.
Chemical Property Profile of 紫花前胡苷
Property Insights of 紫花前胡苷
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫花前胡苷. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 紫花前胡苷. Following Lipinski's Rule of Five, 紫花前胡苷 has 4 hydrogen bond donor(s) and 9 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 紫花前胡苷?
The CAS number of 紫花前胡苷 is 495-31-8.
What is the molecular formula of 紫花前胡苷?
The molecular formula of 紫花前胡苷 is C20H24O9.
What is the molecular weight of 紫花前胡苷?
The molecular weight of 紫花前胡苷 is 408.14 g/mol.
Where can I buy 紫花前胡苷?
You can request a quote for 紫花前胡苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫花前胡苷?
Yes, KEHONG BIO provides custom synthesis services for 紫花前胡苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.