4-Cyclopentylbenzolsulfonylchlorid
TL;DR: 4-Cyclopentylbenzolsulfonylchlorid (CAS 17975-91-6) is a chemical compound with molecular formula C21H31IO3 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 4-Cyclopentylbenzolsulfonylchlorid, KST-1A2666, 3,17-Dihydroxy-16-iodopregn-5-en-20-one, (3, A,16
| Molecular Formula | C21H31IO3 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.13177 |
| Heavy Atoms | 25 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 17975-91-6 |
|---|---|
| SMILES | CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)I)O |
| InChIKey | ZTVMVESCHJHODJ-OCHQKFOUSA-N |
Product Overview
4-Cyclopentylbenzolsulfonylchlorid (CAS 17975-91-6), with molecular formula C21H31IO3 and molecular weight 458.13 g/mol. IUPAC: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 4-Cyclopentylbenzolsulfonylchlorid
Property Insights of 4-Cyclopentylbenzolsulfonylchlorid
The XLogP value of 3.6 indicates that 4-Cyclopentylbenzolsulfonylchlorid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Cyclopentylbenzolsulfonylchlorid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclopentylbenzolsulfonylchlorid 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 4-Cyclopentylbenzolsulfonylchlorid?
The CAS number of 4-Cyclopentylbenzolsulfonylchlorid is 17975-91-6.
What is the molecular formula of 4-Cyclopentylbenzolsulfonylchlorid?
The molecular formula of 4-Cyclopentylbenzolsulfonylchlorid is C21H31IO3.
What is the molecular weight of 4-Cyclopentylbenzolsulfonylchlorid?
The molecular weight of 4-Cyclopentylbenzolsulfonylchlorid is 458.13 g/mol.
Where can I buy 4-Cyclopentylbenzolsulfonylchlorid?
You can request a quote for 4-Cyclopentylbenzolsulfonylchlorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclopentylbenzolsulfonylchlorid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclopentylbenzolsulfonylchlorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.