3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol
TL;DR: 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol (CAS 61133-85-5) is a chemical compound with molecular formula C20H12O2 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1(20),2,4,6,8,10,12(21),13,15-nonaen-6-ol
Also Known As: 9-OH-Bap-4,5-oxide, 9-Hydroxybenzo[a]pyrene-4,5-oxide, 9-Hydroxybenzo(a)pyrene-4,5-epoxide, 9-Hydroxybenzo(a)pyrene-4,5-oxide, 9-Hydroxybenzo[a]pyrene-4,5-epoxide
| Molecular Formula | C20H12O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08374 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 61133-85-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4C(O4)C5=C3C(=C6C=C(C=CC6=C5)O)C=C2 |
| InChIKey | QMJJLPWCBGOGAF-UHFFFAOYSA-N |
Product Overview
3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol (CAS 61133-85-5), with molecular formula C20H12O2 and molecular weight 284.08 g/mol. IUPAC: 18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1(20),2,4,6,8,10,12(21),13,15-nonaen-6-ol.
Chemical Property Profile of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol
Property Insights of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol
The XLogP value of 4.4 indicates that 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol has 1 hydrogen bond donor(s) and 2 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 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol?
The CAS number of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol is 61133-85-5.
What is the molecular formula of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol?
The molecular formula of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol is C20H12O2.
What is the molecular weight of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol?
The molecular weight of 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol is 284.08 g/mol.
Where can I buy 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol?
You can request a quote for 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 3b,4a-Dihydrobenzo(12,1)benz(a)anthra(5,6-b)oxiren-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.