(+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol
TL;DR: (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol (CAS 101708-68-3) is a chemical compound with molecular formula C24H16O3 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxaheptacyclo[11.10.2.02,8.03,5.010,24.014,19.021,25]pentacosa-1(24),2(8),9,11,13(25),14,16,18,20,22-decaene-6,7-diol
Also Known As: (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol, (+,-)-1-beta,2-alpha-Dihydroxy-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene, Benzo(b,def)chrysene-1-beta,2-alpha-diol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (+-)-, 1,2,2a,3a-Tetrahydrodibenzo[1,12:3,4]tetrapheno[10,11-b]oxirene-1,2-diol, BENZO(B,DEF)CHRYSENE-1-SS,2-A-DIOL,1,2,3,4-TETRAHYDRO-3-A,4-A-EPOXY-,(+-)-
| Molecular Formula | C24H16O3 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 4.585 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.10995 |
| Heavy Atoms | 27 |
| Complexity | 1403.5138 |
Chemical Identifiers
| CAS Number | 101708-68-3 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=C5C7C(O7)C(C6O)O)C=C3 |
Product Overview
(+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol (CAS 101708-68-3), with molecular formula C24H16O3 and molecular weight 352.11 g/mol. IUPAC: 4-oxaheptacyclo[11.10.2.02,8.03,5.010,24.014,19.021,25]pentacosa-1(24),2(8),9,11,13(25),14,16,18,20,22-decaene-6,7-diol.
Chemical Property Profile of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol
Property Insights of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol
The XLogP value of 4.585 indicates that (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.99 Ų, (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-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 (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol?
The CAS number of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol is 101708-68-3.
What is the molecular formula of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol?
The molecular formula of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol is C24H16O3.
What is the molecular weight of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol?
The molecular weight of (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol is 352.11 g/mol.
Where can I buy (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol?
You can request a quote for (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol?
Yes, KEHONG BIO provides custom synthesis services for (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenzo(b,def)chrysene-1-beta,2-alpha-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.