二苯并(a,h)蒽-3,4-二醇-1,2-氧化物
TL;DR: 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 (CAS 70951-81-4) 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.
二苯并(a,h)蒽-3,4-二醇-1,2-氧化物
(16R,18S,19S,20R)-17-oxahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,13,15(21),22-nonaene-19,20-diol
Also Known As: DBADE, Dmtc-Cl-Pt, Platinum-dmtc-chloride, Dba 3,4-diol 1,2-oxide, DB(a,h)A-3,4-Diol 1,2-oxide
| Molecular Formula | C22H16O3 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.5 |
| 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 | 70951-81-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)[C@@H]6[C@@H](O6)[C@H]([C@@H]5O)O |
| InChIKey | LRZSCFUXPBRQLT-MBDNFAEBSA-N |
Product Overview
二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 (CAS 70951-81-4), with molecular formula C22H16O3 and molecular weight 328.11 g/mol. IUPAC: (16R,18S,19S,20R)-17-oxahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,13,15(21),22-nonaene-19,20-diol.
Chemical Property Profile of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物
Property Insights of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物
The XLogP value of 3.5 indicates that 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 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 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物?
The CAS number of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 is 70951-81-4.
What is the molecular formula of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物?
The molecular formula of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 is C22H16O3.
What is the molecular weight of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物?
The molecular weight of 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 is 328.11 g/mol.
Where can I buy 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物?
You can request a quote for 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 二苯并(a,h)蒽-3,4-二醇-1,2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.