丹参二醇B
TL;DR: 丹参二醇B (CAS 97465-70-8) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参二醇B
(6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: Tanshindiol B, Przewaquinone D, (-)-TANSHINDIOL B, (6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione, Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6,7-dihydroxy-1,6-dimethyl-, (6R,7S)-(-)-
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.14862 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 871.77734 |
Chemical Identifiers
| CAS Number | 97465-70-8 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CC[C@@H]([C@]4(C)O)O |
Product Overview
丹参二醇B (CAS 97465-70-8), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: (6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of 丹参二醇B
Property Insights of 丹参二醇B
The XLogP value of 2.14862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹参二醇B. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹参二醇B. Following Lipinski's Rule of Five, 丹参二醇B has 2 hydrogen bond donor(s) and 5 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 丹参二醇B?
The CAS number of 丹参二醇B is 97465-70-8.
What is the molecular formula of 丹参二醇B?
The molecular formula of 丹参二醇B is C18H16O5.
What is the molecular weight of 丹参二醇B?
The molecular weight of 丹参二醇B is 312.10 g/mol.
Where can I buy 丹参二醇B?
You can request a quote for 丹参二醇B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参二醇B?
Yes, KEHONG BIO provides custom synthesis services for 丹参二醇B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.