Sigmoidin D
TL;DR: Sigmoidin D (CAS 106533-44-2) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Also Known As: Sigmoidin D, Sigmoidin-D, (2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one, (2,6'-Bi-4H-1-Benzopyran)-4-one, 2,2',3,3'-tetrahydro-3',5,7,8'-tetrahydroxy-2',2'-dimethyl-, (S-(R*,R*))-, (2S)-2-((3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 106533-44-2 |
|---|---|
| SMILES | CC1([C@H](CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
| InChIKey | ASQDBJSRWIDYKK-RDJZCZTQSA-N |
Product Overview
Sigmoidin D (CAS 106533-44-2), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: (2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Sigmoidin D
Property Insights of Sigmoidin D
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sigmoidin D. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sigmoidin D. Following Lipinski's Rule of Five, Sigmoidin D has 4 hydrogen bond donor(s) and 7 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 Sigmoidin D?
The CAS number of Sigmoidin D is 106533-44-2.
What is the molecular formula of Sigmoidin D?
The molecular formula of Sigmoidin D is C20H20O7.
What is the molecular weight of Sigmoidin D?
The molecular weight of Sigmoidin D is 372.12 g/mol.
Where can I buy Sigmoidin D?
You can request a quote for Sigmoidin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigmoidin D?
Yes, KEHONG BIO provides custom synthesis services for Sigmoidin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.