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Benzo[b]phenanthro[3,4-d]thiophene
TL;DR: Benzo[b]phenanthro[3,4-d]thiophene (CAS 82255-65-0) is a chemical compound with molecular formula C20H12S and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
Also Known As: Benzo(b)phenanthro(3,4-d)thiophene, Benzo[b]phenanthro[3,4-d]thiophene, phenanthro[4,3-b][1]benzothiophene, 13-Thia-13H-indeno[1,2-c]phenanthrene, J1.037.922I
| Molecular Formula | C20H12S |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.06598 |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 82255-65-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C5=CC=CC=C5S4 |
| InChIKey | ZWDGBSXTMNEXQB-UHFFFAOYSA-N |
Product Overview
Benzo[b]phenanthro[3,4-d]thiophene (CAS 82255-65-0), with molecular formula C20H12S and molecular weight 284.07 g/mol. IUPAC: 3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
Chemical Property Profile of Benzo[b]phenanthro[3,4-d]thiophene
Property Insights of Benzo[b]phenanthro[3,4-d]thiophene
The XLogP value of 6.9 indicates that Benzo[b]phenanthro[3,4-d]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo[b]phenanthro[3,4-d]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]phenanthro[3,4-d]thiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]phenanthro[3,4-d]thiophene?
The CAS number of Benzo[b]phenanthro[3,4-d]thiophene is 82255-65-0.
What is the molecular formula of Benzo[b]phenanthro[3,4-d]thiophene?
The molecular formula of Benzo[b]phenanthro[3,4-d]thiophene is C20H12S.
What is the molecular weight of Benzo[b]phenanthro[3,4-d]thiophene?
The molecular weight of Benzo[b]phenanthro[3,4-d]thiophene is 284.07 g/mol.
Where can I buy Benzo[b]phenanthro[3,4-d]thiophene?
You can request a quote for Benzo[b]phenanthro[3,4-d]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]phenanthro[3,4-d]thiophene?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]phenanthro[3,4-d]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.