UPCMLD0ENAT5891513:001
TL;DR: UPCMLD0ENAT5891513:001 (CAS 670273-30-0) is a chemical compound with molecular formula C22H29N3O2S2 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: UPCMLD0ENAT5891513:001, VU0618124-1, F3394-0341, AQ-750/41791412, 3-allyl-2-((2-(azepan-1-yl)-2-oxoethyl)thio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C22H29N3O2S2 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 4.4076 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1701 |
| Heavy Atoms | 29 |
| Complexity | 955.0986 |
Chemical Identifiers
| CAS Number | 670273-30-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC4=C2CCCCC4 |
Product Overview
UPCMLD0ENAT5891513:001 (CAS 670273-30-0), with molecular formula C22H29N3O2S2 and molecular weight 431.17 g/mol. IUPAC: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of UPCMLD0ENAT5891513:001
Property Insights of UPCMLD0ENAT5891513:001
The XLogP value of 4.4076 indicates that UPCMLD0ENAT5891513:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, UPCMLD0ENAT5891513:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5891513:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5891513:001?
The CAS number of UPCMLD0ENAT5891513:001 is 670273-30-0.
What is the molecular formula of UPCMLD0ENAT5891513:001?
The molecular formula of UPCMLD0ENAT5891513:001 is C22H29N3O2S2.
What is the molecular weight of UPCMLD0ENAT5891513:001?
The molecular weight of UPCMLD0ENAT5891513:001 is 431.17 g/mol.
Where can I buy UPCMLD0ENAT5891513:001?
You can request a quote for UPCMLD0ENAT5891513:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5891513:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5891513:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.