1-dimethylphosphino-3-diphenylphosphinopropane
TL;DR: 1-dimethylphosphino-3-diphenylphosphinopropane (CAS 5714-74-9) is a chemical compound with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 1-dimethylphosphino-3-diphenylphosphinopropane, AB00094475-01, A1549/0067424, methyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, METHYL 4-[4-[2-(AZEPAN-1-YL)-2-OXO-ETHOXY]-3-METHOXY-PHENYL]-6-METHYL-2-SULFANYLIDENE-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C22H29N3O5S |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 2.4424 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1828 |
| Heavy Atoms | 31 |
| Complexity | 877.8974 |
Chemical Identifiers
| CAS Number | 5714-74-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C(=O)OC |
Product Overview
1-dimethylphosphino-3-diphenylphosphinopropane (CAS 5714-74-9), with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol. IUPAC: methyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 1-dimethylphosphino-3-diphenylphosphinopropane
Property Insights of 1-dimethylphosphino-3-diphenylphosphinopropane
The XLogP value of 2.4424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-dimethylphosphino-3-diphenylphosphinopropane. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-dimethylphosphino-3-diphenylphosphinopropane. Following Lipinski's Rule of Five, 1-dimethylphosphino-3-diphenylphosphinopropane has 2 hydrogen bond donor(s) and 6 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 1-dimethylphosphino-3-diphenylphosphinopropane?
The CAS number of 1-dimethylphosphino-3-diphenylphosphinopropane is 5714-74-9.
What is the molecular formula of 1-dimethylphosphino-3-diphenylphosphinopropane?
The molecular formula of 1-dimethylphosphino-3-diphenylphosphinopropane is C22H29N3O5S.
What is the molecular weight of 1-dimethylphosphino-3-diphenylphosphinopropane?
The molecular weight of 1-dimethylphosphino-3-diphenylphosphinopropane is 447.18 g/mol.
Where can I buy 1-dimethylphosphino-3-diphenylphosphinopropane?
You can request a quote for 1-dimethylphosphino-3-diphenylphosphinopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-dimethylphosphino-3-diphenylphosphinopropane?
Yes, KEHONG BIO provides custom synthesis services for 1-dimethylphosphino-3-diphenylphosphinopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.