3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran
TL;DR: 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran (CAS 135643-41-3) is a chemical compound with molecular formula C19H16OS and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxa-7-thiapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),8,14,16,18,20-heptaene
Also Known As: 3,4-Tbnp, 3,4,5,13-Tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran, 3,4,5,13-tetrahydro-3H-2-benzothieno naphtho pyran, 3a,4,5,13-Tetrahydro-3H-naphtho[1,2-c]thieno[3,4-h][2]benzopyran, 3a,4,5,13-tetrahydro-3H-<2>benzothieno<5,4-d>naphtho<1,2-b>pyran
| Molecular Formula | C19H16OS |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.0922 |
| Heavy Atoms | 21 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 135643-41-3 |
|---|---|
| SMILES | C1CC2=C(COC3=C2C=CC4=CC=CC=C43)C5=CSCC51 |
| InChIKey | YFDBDMQCAVZJDH-UHFFFAOYSA-N |
Product Overview
3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran (CAS 135643-41-3), with molecular formula C19H16OS and molecular weight 292.09 g/mol. IUPAC: 12-oxa-7-thiapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),8,14,16,18,20-heptaene.
Chemical Property Profile of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran
Property Insights of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran
The XLogP value of 3.4 indicates that 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran has 0 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 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran?
The CAS number of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran is 135643-41-3.
What is the molecular formula of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran?
The molecular formula of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran is C19H16OS.
What is the molecular weight of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran?
The molecular weight of 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran is 292.09 g/mol.
Where can I buy 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran?
You can request a quote for 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,13-tetrahydro-3H-2-benzothieno(5,4-d)naphtho(1,2-b)pyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.