RefChem:125662
TL;DR: RefChem:125662 (CAS 63469-10-3) is a chemical compound with molecular formula C35H56N2O3S2 and molecular weight 616.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamimidothioate;4-methylbenzenesulfonic acid
Also Known As: Cholest-5-ene-3-thiol, 3-carbamimidothioate, (3beta)-, 4-methylbenzenesulfonate (1:1), Cholest-5-ene-3-thiol, carbamimidothioate, (3beta)-, mono(4-methylbenzenesulfonate), O-(Thiocarbamimidoyl)-o-(toluene-p-sulfonyl)cholest-5-ene-3beta-thiol, A)-cholest-5-en-3-yl carbamimidothioate 4-methylbenzenesulfonate(1:1), O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol
| Molecular Formula | C35H56N2O3S2 |
|---|---|
| Molecular Weight | 616.37 g/mol |
| LogP | 9.26 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 616.3732 |
| Heavy Atoms | 42 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 63469-10-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)SC(=N)N)C)C |
| InChIKey | DPHWECFLLPULBR-SSFSVUPHSA-N |
Product Overview
RefChem:125662 (CAS 63469-10-3), with molecular formula C35H56N2O3S2 and molecular weight 616.37 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamimidothioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:125662
Property Insights of RefChem:125662
The XLogP value of 9.26 indicates that RefChem:125662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:125662. Following Lipinski's Rule of Five, RefChem:125662 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:125662?
The CAS number of RefChem:125662 is 63469-10-3.
What is the molecular formula of RefChem:125662?
The molecular formula of RefChem:125662 is C35H56N2O3S2.
What is the molecular weight of RefChem:125662?
The molecular weight of RefChem:125662 is 616.37 g/mol.
Where can I buy RefChem:125662?
You can request a quote for RefChem:125662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:125662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:125662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.