(10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol
TL;DR: (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol (CAS 70951-82-5) is a chemical compound with molecular formula C22H16O3 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17R,19S,20S,21R)-18-oxahexacyclo[12.9.0.02,7.08,13.016,22.017,19]tricosa-1(23),2,4,6,8,10,12,14,16(22)-nonaene-20,21-diol
Also Known As: (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol, Dibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol, 10,11,11a,12a-tetrahydro-, (10alpha,11beta,11aalpha,12aalpha)-, 10,11,11a,12a-Tetrahydrobenzo[5,6]tetrapheno[10,11-b]oxirene-10,11-diol, (10R,11S,11aS,12aR)-10,11,11a,12a-Tetrahydrobenzo[5,6]tetrapheno[10,11-b]oxirene-10,11-diol, (17R,19S,20S,21R)-18-oxahexacyclo[12.9.0.02,7.08,13.016,22.017,19]tricosa-1(23),2,4,6,8,10,12,14,16(22)-nonaene-20,21-diol
| Molecular Formula | C22H16O3 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.10995 |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 70951-82-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC5=C(C=C24)[C@H]([C@@H]([C@H]6[C@@H]5O6)O)O |
| InChIKey | BDXOSOFNOOCLAD-MBDNFAEBSA-N |
Product Overview
(10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol (CAS 70951-82-5), with molecular formula C22H16O3 and molecular weight 328.11 g/mol. IUPAC: (17R,19S,20S,21R)-18-oxahexacyclo[12.9.0.02,7.08,13.016,22.017,19]tricosa-1(23),2,4,6,8,10,12,14,16(22)-nonaene-20,21-diol.
Chemical Property Profile of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol
Property Insights of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol. With a topological polar surface area (TPSA) of 53.0 Ų, (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol has 2 hydrogen bond donor(s) and 3 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 (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol?
The CAS number of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol is 70951-82-5.
What is the molecular formula of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol?
The molecular formula of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol is C22H16O3.
What is the molecular weight of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol?
The molecular weight of (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol is 328.11 g/mol.
Where can I buy (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol?
You can request a quote for (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol?
Yes, KEHONG BIO provides custom synthesis services for (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.