4a-Carbinolamine tetrahydrobiopterin
TL;DR: 4a-Carbinolamine tetrahydrobiopterin (CAS 99032-32-3) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R,8R,10S)-17-methyl-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
Also Known As: 4a-Carbinolamine tetrahydrobiopterin, 1a,2,3,6,7,11c-Hexahydro-8-methylindeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol (1aalpha,2beta,3alpha,11calpha)-, Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aalpha,2beta,3alpha,11calpha)-, 1a,2,3,6,7,11c-Hexahydro-8-methylindeno(7',1':6,7,8)phenanthro(3,4'b)oxirene-2,3-diol (1aalpha,2beta,3alpha,11calpha)-(+-)-, Indeno(7',1':6,7,8)phenanthro(3,4'b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aalpha,2beta,3alpha,11calpha)-(+-)-
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 99032-32-3 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4[C@H]6[C@H](O6)[C@@H]([C@H]5O)O)C=C1 |
| InChIKey | IVHWSXJFXWPPMY-JSXRDJHFSA-N |
Product Overview
4a-Carbinolamine tetrahydrobiopterin (CAS 99032-32-3), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: (6S,7R,8R,10S)-17-methyl-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol.
Chemical Property Profile of 4a-Carbinolamine tetrahydrobiopterin
Property Insights of 4a-Carbinolamine tetrahydrobiopterin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Carbinolamine tetrahydrobiopterin. With a topological polar surface area (TPSA) of 53.0 Ų, 4a-Carbinolamine tetrahydrobiopterin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Carbinolamine tetrahydrobiopterin 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 4a-Carbinolamine tetrahydrobiopterin?
The CAS number of 4a-Carbinolamine tetrahydrobiopterin is 99032-32-3.
What is the molecular formula of 4a-Carbinolamine tetrahydrobiopterin?
The molecular formula of 4a-Carbinolamine tetrahydrobiopterin is C21H18O3.
What is the molecular weight of 4a-Carbinolamine tetrahydrobiopterin?
The molecular weight of 4a-Carbinolamine tetrahydrobiopterin is 318.13 g/mol.
Where can I buy 4a-Carbinolamine tetrahydrobiopterin?
You can request a quote for 4a-Carbinolamine tetrahydrobiopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Carbinolamine tetrahydrobiopterin?
Yes, KEHONG BIO provides custom synthesis services for 4a-Carbinolamine tetrahydrobiopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.